4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide

C23H22N8OS — CID 71679069

IUPAC4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1nccc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C23H22N8OS/c1-16-20(33-22(27-16)17-5-4-8-24-15-17)21(32)29-23-26-10-7-19(28-23)31-13-11-30(12-14-31)18-6-2-3-9-25-18/h2-10,15H,11-14H2,1H3,(H,26,28,29,32)
InChIKeyXKTZWGYEJQIXHF-UHFFFAOYSA-N
MW458.55 g/mol
LogP3.28
Rot. Bonds5

About 4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide

4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 71679069) has the molecular formula C23H22N8OS and a molecular weight of 458.55 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID71679069
Molecular FormulaC23H22N8OS
Molecular Weight458.55 g/mol
Exact Mass458.16
IUPAC Name4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1nccc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C23H22N8OS/c1-16-20(33-22(27-16)17-5-4-8-24-15-17)21(32)29-23-26-10-7-19(28-23)31-13-11-30(12-14-31)18-6-2-3-9-25-18/h2-10,15H,11-14H2,1H3,(H,26,28,29,32)
InChIKeyXKTZWGYEJQIXHF-UHFFFAOYSA-N
XLogP3.28
TPSA100.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-(2-{[4-(4-acetylpiperazin-1-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)-N-(2-aminoethyl)nicotinamide
CID 15979751
N-(2-aminoethyl)-5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15979870
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide
CID 118875852
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137654148
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[2-(trifluoromethyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137660008
3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 127032072
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 132569635
[3-(5-Chloropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 134153899
[3-(5-Bromopyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 137632071
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(2S)-2-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137637746
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 137647502
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 137651468

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide (CID 71679069) is 4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)Nc1nccc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is XKTZWGYEJQIXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8OS/c1-16-20(33-22(27-16)17-5-4-8-24-15-17)21(32)29-23-26-10-7-19(28-23)31-13-11-30(12-14-31)18-6-2-3-9-25-18/h2-10,15H,11-14H2,1H3,(H,26,28,29,32).
What are the key properties of 4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide?
4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 458.55 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71679069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).