5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide

C15H14ClN5OS — CID 71830924

IUPAC5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESCc1ccc(Cn2nnc(C(=O)Nc3ncc(C)s3)c2Cl)cc1
InChIInChI=1S/C15H14ClN5OS/c1-9-3-5-11(6-4-9)8-21-13(16)12(19-20-21)14(22)18-15-17-7-10(2)23-15/h3-7H,8H2,1-2H3,(H,17,18,22)
InChIKeyUFALEAFWUWVSIP-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.31
Rot. Bonds4

About 5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide

5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide (PubChem CID 71830924) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is 5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide
PubChem CID71830924
Molecular FormulaC15H14ClN5OS
Molecular Weight347.83 g/mol
Exact Mass347.06
IUPAC Name5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESCc1ccc(Cn2nnc(C(=O)Nc3ncc(C)s3)c2Cl)cc1
InChIInChI=1S/C15H14ClN5OS/c1-9-3-5-11(6-4-9)8-21-13(16)12(19-20-21)14(22)18-15-17-7-10(2)23-15/h3-7H,8H2,1-2H3,(H,17,18,22)
InChIKeyUFALEAFWUWVSIP-UHFFFAOYSA-N
XLogP3.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-chloro-1-[(4-methylphenyl)methyl]triazole-4-carboxylate
CID 170267219
[5-chloro-1-[(4-methylphenyl)methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 91938627
N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51198051
2-[[1-[(3,4-dichlorophenyl)methyl]-5-methyltriazole-4-carbonyl]amino]-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 42606327
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625727
5-[[1-[(3,4-dichlorophenyl)methyl]-5-methyltriazole-4-carbonyl]amino]-1,3,4-thiadiazole-2-carboxylic acid
CID 121267657
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630691
5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 4844401
5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 4786773
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459161
3-[[4-[[3-(3,4-dichlorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 11541331
1-[(3,4-dichlorophenyl)methyl]-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 152532478

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide (CID 71830924) is 5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide is Cc1ccc(Cn2nnc(C(=O)Nc3ncc(C)s3)c2Cl)cc1.
What is the InChIKey of 5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The InChIKey is UFALEAFWUWVSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS/c1-9-3-5-11(6-4-9)8-21-13(16)12(19-20-21)14(22)18-15-17-7-10(2)23-15/h3-7H,8H2,1-2H3,(H,17,18,22).
What are the key properties of 5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide?
5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide has a molecular weight of 347.83 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 71830924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).