2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

C84H82N26O8S4 — CID 157337270

IUPAC2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cc1.CS(=O)(=O)c1cccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)c1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3scnc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2nc3ccccc3s2)n1
InChIInChI=1S/2C21H19N7OS.2C21H22N6O3S/c29-21(27-17-12-23-5-4-18(17)28-9-7-22-8-10-28)15-3-6-24-20(26-15)14-1-2-19-16(11-14)25-13-30-19;29-20(26-16-13-23-7-6-17(16)28-11-9-22-10-12-28)15-5-8-24-19(25-15)21-27-14-3-1-2-4-18(14)30-21;1-31(29,30)16-4-2-15(3-5-16)20-24-9-6-17(25-20)21(28)26-18-14-23-8-7-19(18)27-12-10-22-11-13-27;1-31(29,30)16-4-2-3-15(13-16)20-24-8-5-17(25-20)21(28)26-18-14-23-7-6-19(18)27-11-9-22-10-12-27/h1-6,11-13,22H,7-10H2,(H,27,29);1-8,13,22H,9-12H2,(H,26,29);2-9,14,22H,10-13H2,1H3,(H,26,28);2-8,13-14,22H,9-12H2,1H3,(H,26,28)
InChIKeyBFZBQQAAFGTWCF-UHFFFAOYSA-N
MW1712.02 g/mol
LogP8.83
Rot. Bonds18

About 2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 157337270) has the molecular formula C84H82N26O8S4 and a molecular weight of 1712.02 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID157337270
Molecular FormulaC84H82N26O8S4
Molecular Weight1712.02 g/mol
Exact Mass1710.57
IUPAC Name2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cc1.CS(=O)(=O)c1cccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)c1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3scnc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2nc3ccccc3s2)n1
InChIInChI=1S/2C21H19N7OS.2C21H22N6O3S/c29-21(27-17-12-23-5-4-18(17)28-9-7-22-8-10-28)15-3-6-24-20(26-15)14-1-2-19-16(11-14)25-13-30-19;29-20(26-16-13-23-7-6-17(16)28-11-9-22-10-12-28)15-5-8-24-19(25-15)21-27-14-3-1-2-4-18(14)30-21;1-31(29,30)16-4-2-15(3-5-16)20-24-9-6-17(25-20)21(28)26-18-14-23-8-7-19(18)27-12-10-22-11-13-27;1-31(29,30)16-4-2-3-15(13-16)20-24-8-5-17(25-20)21(28)26-18-14-23-7-6-19(18)27-11-9-22-10-12-27/h1-6,11-13,22H,7-10H2,(H,27,29);1-8,13,22H,9-12H2,(H,26,29);2-9,14,22H,10-13H2,1H3,(H,26,28);2-8,13-14,22H,9-12H2,1H3,(H,26,28)
InChIKeyBFZBQQAAFGTWCF-UHFFFAOYSA-N
XLogP8.83
TPSA426.22 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds18
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001712.02
LogP ≤ 58.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one
CID 159924313
6-[(1-methylsulfonylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42623126
2-phenyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42624297
6-(2-methylsulfonylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101472
6-(2-ethylsulfonylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101559
6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101582
[4-[3-[[2-(1,3-Benzothiazol-5-yl)pyrimidine-4-carbonyl]amino]-4-pyridinyl]piperazin-1-yl]-methylborinic acid
CID 59569297
2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569306
2-(1,3-benzothiazol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569313
[4-[3-[[2-(1,3-Benzothiazol-6-yl)pyrimidine-4-carbonyl]amino]-4-pyridinyl]piperazin-1-yl]-methylborinic acid
CID 59569513
6-[methyl(pyridin-3-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride
CID 66867305
Tert-butyl 4-[3-[[2-(1,3-benzothiazol-5-yl)pyrimidine-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate
CID 70830090

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (CID 157337270) is 2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is CS(=O)(=O)c1ccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cc1.CS(=O)(=O)c1cccc(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)c1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc3scnc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2nc3ccccc3s2)n1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is BFZBQQAAFGTWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H19N7OS.2C21H22N6O3S/c29-21(27-17-12-23-5-4-18(17)28-9-7-22-8-10-28)15-3-6-24-20(26-15)14-1-2-19-16(11-14)25-13-30-19;29-20(26-16-13-23-7-6-17(16)28-11-9-22-10-12-28)15-5-8-24-19(25-15)21-27-14-3-1-2-4-18(14)30-21;1-31(29,30)16-4-2-15(3-5-16)20-24-9-6-17(25-20)21(28)26-18-14-23-8-7-19(18)27-12-10-22-11-13-27;1-31(29,30)16-4-2-3-15(13-16)20-24-8-5-17(25-20)21(28)26-18-14-23-7-6-19(18)27-11-9-22-10-12-27/h1-6,11-13,22H,7-10H2,(H,27,29);1-8,13,22H,9-12H2,(H,26,29);2-9,14,22H,10-13H2,1H3,(H,26,28);2-8,13-14,22H,9-12H2,1H3,(H,26,28).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 1712.02 g/mol, XLogP of 8.83, 18 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 157337270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).