N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide

C19H15N5OS — CID 18275464

IUPACN-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H15N5OS/c25-18(17-13-20-24(22-17)16-9-5-2-6-10-16)21-19-23(11-12-26-19)14-15-7-3-1-4-8-15/h1-13H,14H2/b21-19-
InChIKeyMQEJSSDYPOBGMJ-VZCXRCSSSA-N
MW361.43 g/mol
LogP2.92
Rot. Bonds4

About N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide

N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide (PubChem CID 18275464) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide
PubChem CID18275464
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H15N5OS/c25-18(17-13-20-24(22-17)16-9-5-2-6-10-16)21-19-23(11-12-26-19)14-15-7-3-1-4-8-15/h1-13H,14H2/b21-19-
InChIKeyMQEJSSDYPOBGMJ-VZCXRCSSSA-N
XLogP2.92
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18293281
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide
CID 38272852
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide
CID 9194190
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18269929
2-(2-amino-2-oxoethoxy)-N-(3-benzyl-1,3-thiazol-2-ylidene)benzamide
CID 24524444
N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18292171
N-(3-benzyl-1,3-thiazol-2-ylidene)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18285459
6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 24905713
N-(3-benzyl-1,3-thiazol-2-ylidene)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24607678
N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
(3-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanone
CID 107361590
N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 38486353

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide (CID 18275464) is N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide is O=C(/N=c1\sccn1Cc1ccccc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide?
The InChIKey is MQEJSSDYPOBGMJ-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H15N5OS/c25-18(17-13-20-24(22-17)16-9-5-2-6-10-16)21-19-23(11-12-26-19)14-15-7-3-1-4-8-15/h1-13H,14H2/b21-19-.
What are the key properties of N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide?
N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 18275464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).