5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide

C23H26N6O2S — CID 71060935

IUPAC5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(-c2nc(C(N)=O)c(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)s2)ccn1
InChIInChI=1S/C23H26N6O2S/c1-15-13-18(7-8-25-15)22-26-19(20(24)30)23(32-22)27-21(31)17-5-3-16(4-6-17)14-29-11-9-28(2)10-12-29/h3-8,13H,9-12,14H2,1-2H3,(H2,24,30)(H,27,31)
InChIKeyWXNQCJRSDVNYKO-UHFFFAOYSA-N
MW450.57 g/mol
LogP2.61
Rot. Bonds6

About 5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide

5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 71060935) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID71060935
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC Name5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(-c2nc(C(N)=O)c(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)s2)ccn1
InChIInChI=1S/C23H26N6O2S/c1-15-13-18(7-8-25-15)22-26-19(20(24)30)23(32-22)27-21(31)17-5-3-16(4-6-17)14-29-11-9-28(2)10-12-29/h3-8,13H,9-12,14H2,1-2H3,(H2,24,30)(H,27,31)
InChIKeyWXNQCJRSDVNYKO-UHFFFAOYSA-N
XLogP2.61
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

tert-butyl 4-[[4-[(4-carbamoyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxylate
CID 71061211
N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 90173853
2-[methyl(naphthalen-2-yl)amino]-5-[[5-[(4-methylpiperazin-1-yl)methyl]thiophene-3-carbonyl]amino]-1,3-thiazole-4-carboxamide
CID 118062013
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methyl-4-pyridinyl)benzamide
CID 71984262
5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71060796
2-[(2-fluoro-4-pyridinyl)amino]-5-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 59453540
N-[4-methyl-3-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 148634227
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
5-[[4-(piperazin-1-ylmethyl)benzoyl]amino]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide;hydrochloride
CID 87521619
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]benzamide
CID 157278227
N-(3-formyl-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 87562064
N-methyl-4-[1-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040418

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide (CID 71060935) is 5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide is Cc1cc(-c2nc(C(N)=O)c(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)s2)ccn1.
What is the InChIKey of 5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WXNQCJRSDVNYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-15-13-18(7-8-25-15)22-26-19(20(24)30)23(32-22)27-21(31)17-5-3-16(4-6-17)14-29-11-9-28(2)10-12-29/h3-8,13H,9-12,14H2,1-2H3,(H2,24,30)(H,27,31).
What are the key properties of 5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 450.57 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71060935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).