N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C26H18N6O2S — CID 10140538

IUPACN-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc2nc(-c3cn[nH]c3-c3ccc(NC(=O)c4csc(-c5ccncc5)n4)cc3)oc2c1
InChIInChI=1S/C26H18N6O2S/c1-15-2-7-20-22(12-15)34-25(30-20)19-13-28-32-23(19)16-3-5-18(6-4-16)29-24(33)21-14-35-26(31-21)17-8-10-27-11-9-17/h2-14H,1H3,(H,28,32)(H,29,33)
InChIKeyWAECNVLNZNUHOE-UHFFFAOYSA-N
MW478.54 g/mol
LogP5.96
Rot. Bonds5

About N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 10140538) has the molecular formula C26H18N6O2S and a molecular weight of 478.54 g/mol. Its IUPAC name is N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID10140538
Molecular FormulaC26H18N6O2S
Molecular Weight478.54 g/mol
Exact Mass478.12
IUPAC NameN-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc2nc(-c3cn[nH]c3-c3ccc(NC(=O)c4csc(-c5ccncc5)n4)cc3)oc2c1
InChIInChI=1S/C26H18N6O2S/c1-15-2-7-20-22(12-15)34-25(30-20)19-13-28-32-23(19)16-3-5-18(6-4-16)29-24(33)21-14-35-26(31-21)17-8-10-27-11-9-17/h2-14H,1H3,(H,28,32)(H,29,33)
InChIKeyWAECNVLNZNUHOE-UHFFFAOYSA-N
XLogP5.96
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60162238
3-(benzo[d]oxazol-2-yl)-3-(4-fluorophenyl)-N-(thiazol-2-ylmethyl) propanamide
CID 172432687
2-fluoro-6-iodo-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide
CID 21956729
2-fluoro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide
CID 21956734
N-[4-[3-[3-[[(2S)-3,3-dimethyl-1-[(2S)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-3-oxopropoxy]-2-fluorophenyl]-2-methoxyphenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 156055130
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide
CID 177283479
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19509852
6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19509867
4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19509895
6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19509897
6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19509902
4-(1,5-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19509903

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 10140538) is N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is Cc1ccc2nc(-c3cn[nH]c3-c3ccc(NC(=O)c4csc(-c5ccncc5)n4)cc3)oc2c1.
What is the InChIKey of N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is WAECNVLNZNUHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N6O2S/c1-15-2-7-20-22(12-15)34-25(30-20)19-13-28-32-23(19)16-3-5-18(6-4-16)29-24(33)21-14-35-26(31-21)17-8-10-27-11-9-17/h2-14H,1H3,(H,28,32)(H,29,33).
What are the key properties of N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 478.54 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 10140538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).