N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide

C12H11N5OS2 — CID 155537672

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cc(-c3cccs3)nn2)n1
InChIInChI=1S/C12H11N5OS2/c1-8-7-20-12(13-8)14-11(18)6-17-5-9(15-16-17)10-3-2-4-19-10/h2-5,7H,6H2,1H3,(H,13,14,18)
InChIKeyZTXGVUUZJRKTFP-UHFFFAOYSA-N
MW305.39 g/mol
LogP2.41
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide (PubChem CID 155537672) has the molecular formula C12H11N5OS2 and a molecular weight of 305.39 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide
PubChem CID155537672
Molecular FormulaC12H11N5OS2
Molecular Weight305.39 g/mol
Exact Mass305.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cc(-c3cccs3)nn2)n1
InChIInChI=1S/C12H11N5OS2/c1-8-7-20-12(13-8)14-11(18)6-17-5-9(15-16-17)10-3-2-4-19-10/h2-5,7H,6H2,1H3,(H,13,14,18)
InChIKeyZTXGVUUZJRKTFP-UHFFFAOYSA-N
XLogP2.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411115
2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 7207400
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-thiophen-2-yl-thiazol-2-yl)-acetamide
CID 655582
2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155510898
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 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 155531996
2-(4-pyridin-4-yltriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 155536231
2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155552622
2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155569390
N-(4-methylthiazol-2-yl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 7207402
N-{2-[(2-fluoropyridin-3-yl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}acetamide
CID 11163901

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide (CID 155537672) is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide is Cc1csc(NC(=O)Cn2cc(-c3cccs3)nn2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide?
The InChIKey is ZTXGVUUZJRKTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS2/c1-8-7-20-12(13-8)14-11(18)6-17-5-9(15-16-17)10-3-2-4-19-10/h2-5,7H,6H2,1H3,(H,13,14,18).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide has a molecular weight of 305.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide is sourced from PubChem (CID 155537672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).