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

C13H12N6OS — CID 155518619

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cc(-c3ccncc3)nn2)n1
InChIInChI=1S/C13H12N6OS/c1-9-8-21-13(15-9)16-12(20)7-19-6-11(17-18-19)10-2-4-14-5-3-10/h2-6,8H,7H2,1H3,(H,15,16,20)
InChIKeyHUQKVQQPGSSHQB-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.74
Rot. Bonds4

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

N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide (PubChem CID 155518619) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide
PubChem CID155518619
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cc(-c3ccncc3)nn2)n1
InChIInChI=1S/C13H12N6OS/c1-9-8-21-13(15-9)16-12(20)7-19-6-11(17-18-19)10-2-4-14-5-3-10/h2-6,8H,7H2,1H3,(H,15,16,20)
InChIKeyHUQKVQQPGSSHQB-UHFFFAOYSA-N
XLogP1.74
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
N-[4-(3-pyridylethynyl)-2-thiazolyl]acetamide
CID 11615675
2-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 645763
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1155032
N'-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 1963296
3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2594420
N-[4'-methyl-2-(2-pyridinylamino)-4,5'-bi-1,3-thiazol-2'-yl]propanamide
CID 755435
N-[4-(2-pyridinyl)-2-thiazolyl]cyclopentanecarboxamide
CID 2539471
2-(4-Ethyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 648381
2-(4-Butyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 648616
N-(4-Methyl-thiazol-2-yl)-2-(4-propyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 650828
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 653401

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide (CID 155518619) is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide is Cc1csc(NC(=O)Cn2cc(-c3ccncc3)nn2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide?
The InChIKey is HUQKVQQPGSSHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-9-8-21-13(15-9)16-12(20)7-19-6-11(17-18-19)10-2-4-14-5-3-10/h2-6,8H,7H2,1H3,(H,15,16,20).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide has a molecular weight of 300.35 g/mol, XLogP of 1.74, 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-pyridin-4-yltriazol-1-yl)acetamide is sourced from PubChem (CID 155518619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).