N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide

C19H15N5OS — CID 90149485

IUPACN-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(-c3ccc(NC(=O)c4cscn4)cc3)n[nH]2)cc1
InChIInChI=1S/C19H15N5OS/c1-12-2-4-13(5-3-12)17-22-18(24-23-17)14-6-8-15(9-7-14)21-19(25)16-10-26-11-20-16/h2-11H,1H3,(H,21,25)(H,22,23,24)
InChIKeyIVFAMNWUIZHYQI-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.16
Rot. Bonds4

About N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide

N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 90149485) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID90149485
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(-c3ccc(NC(=O)c4cscn4)cc3)n[nH]2)cc1
InChIInChI=1S/C19H15N5OS/c1-12-2-4-13(5-3-12)17-22-18(24-23-17)14-6-8-15(9-7-14)21-19(25)16-10-26-11-20-16/h2-11H,1H3,(H,21,25)(H,22,23,24)
InChIKeyIVFAMNWUIZHYQI-UHFFFAOYSA-N
XLogP4.16
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149414
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 75521087
N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55143046
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
4-methylsulfonyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]thiophene-2-carboxamide
CID 166192784
N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62046167
N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149632
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 131938859
N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149487
N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 90149631
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312
N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 62045992

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide (CID 90149485) is N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(-c3ccc(NC(=O)c4cscn4)cc3)n[nH]2)cc1.
What is the InChIKey of N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IVFAMNWUIZHYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-12-2-4-13(5-3-12)17-22-18(24-23-17)14-6-8-15(9-7-14)21-19(25)16-10-26-11-20-16/h2-11H,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide?
N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90149485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).