2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C14H12ClN5OS — CID 155518758

IUPAC2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cc(-c3ccc(Cl)cc3)nn2)n1
InChIInChI=1S/C14H12ClN5OS/c1-9-8-22-14(16-9)17-13(21)7-20-6-12(18-19-20)10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3,(H,16,17,21)
InChIKeyPPBVUQBVDXFHJA-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.00
Rot. Bonds4

About 2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 155518758) has the molecular formula C14H12ClN5OS and a molecular weight of 333.80 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID155518758
Molecular FormulaC14H12ClN5OS
Molecular Weight333.80 g/mol
Exact Mass333.05
IUPAC Name2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cc(-c3ccc(Cl)cc3)nn2)n1
InChIInChI=1S/C14H12ClN5OS/c1-9-8-22-14(16-9)17-13(21)7-20-6-12(18-19-20)10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3,(H,16,17,21)
InChIKeyPPBVUQBVDXFHJA-UHFFFAOYSA-N
XLogP3.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N2-(3-pyridyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 2725904
2-(6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl)-N-(3-(diethylamino)propyl)acetamide
CID 7522241
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 9420018
2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155510898
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(4-nitrophenyl)triazol-1-yl]acetamide
CID 155510998
2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155515390
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide
CID 155518619
Ethyl 2-[[2-[4-(4-chlorophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155532706
2-(4-pyridin-4-yltriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 155536231
2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155547910
2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155552622
N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)triazol-1-yl]acetamide
CID 155553876

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 155518758) is 2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)Cn2cc(-c3ccc(Cl)cc3)nn2)n1.
What is the InChIKey of 2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is PPBVUQBVDXFHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5OS/c1-9-8-22-14(16-9)17-13(21)7-20-6-12(18-19-20)10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3,(H,16,17,21).
What are the key properties of 2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 333.80 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155518758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).