N-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C25H22N8O2S — CID 67110476

IUPACN-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCC(O)CNc1nccc(-n2ccnc2-c2ccc(NC(=O)c3csc(-c4ccncc4)n3)cc2)n1
InChIInChI=1S/C25H22N8O2S/c1-16(34)14-29-25-28-11-8-21(32-25)33-13-12-27-22(33)17-2-4-19(5-3-17)30-23(35)20-15-36-24(31-20)18-6-9-26-10-7-18/h2-13,15-16,34H,14H2,1H3,(H,30,35)(H,28,29,32)
InChIKeyFTIVENCSTIXHOB-UHFFFAOYSA-N
MW498.57 g/mol
LogP3.89
Rot. Bonds8

About N-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

N-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 67110476) has the molecular formula C25H22N8O2S and a molecular weight of 498.57 g/mol. Its IUPAC name is N-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID67110476
Molecular FormulaC25H22N8O2S
Molecular Weight498.57 g/mol
Exact Mass498.16
IUPAC NameN-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCC(O)CNc1nccc(-n2ccnc2-c2ccc(NC(=O)c3csc(-c4ccncc4)n3)cc2)n1
InChIInChI=1S/C25H22N8O2S/c1-16(34)14-29-25-28-11-8-21(32-25)33-13-12-27-22(33)17-2-4-19(5-3-17)30-23(35)20-15-36-24(31-20)18-6-9-26-10-7-18/h2-13,15-16,34H,14H2,1H3,(H,30,35)(H,28,29,32)
InChIKeyFTIVENCSTIXHOB-UHFFFAOYSA-N
XLogP3.89
TPSA130.74 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.57
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[3-chloro-5-(trifluoromethyl)phenyl]-N-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]furan-2-carboxamide
CID 52913724
4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one
CID 67109713
N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]quinoline-2-carboxamide
CID 118705794
4-chloro-N-[3-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazole-2-carbonyl]phenyl]benzamide
CID 118705931
N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307500
2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55865804
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 31861373
1-[3-chloro-4-(trifluoromethyl)phenyl]-3-[3-[[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]urea
CID 121472277
2-(4-chlorophenyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,3-thiazole-4-carboxamide
CID 46402676
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide
CID 121472223
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110651485

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 67110476) is N-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is CC(O)CNc1nccc(-n2ccnc2-c2ccc(NC(=O)c3csc(-c4ccncc4)n3)cc2)n1.
What is the InChIKey of N-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FTIVENCSTIXHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2S/c1-16(34)14-29-25-28-11-8-21(32-25)33-13-12-27-22(33)17-2-4-19(5-3-17)30-23(35)20-15-36-24(31-20)18-6-9-26-10-7-18/h2-13,15-16,34H,14H2,1H3,(H,30,35)(H,28,29,32).
What are the key properties of N-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 498.57 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67110476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).