5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide

C13H19N5OS — CID 138031637

IUPAC5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide
SMILESCc1ncc(C(C)NC(=O)c2nnn(C(C)C)c2C)s1
InChIInChI=1S/C13H19N5OS/c1-7(2)18-9(4)12(16-17-18)13(19)15-8(3)11-6-14-10(5)20-11/h6-8H,1-5H3,(H,15,19)
InChIKeyVGNHSZZNYZZHRC-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.42
Rot. Bonds4

About 5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide

5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide (PubChem CID 138031637) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide
PubChem CID138031637
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide
SMILESCc1ncc(C(C)NC(=O)c2nnn(C(C)C)c2C)s1
InChIInChI=1S/C13H19N5OS/c1-7(2)18-9(4)12(16-17-18)13(19)15-8(3)11-6-14-10(5)20-11/h6-8H,1-5H3,(H,15,19)
InChIKeyVGNHSZZNYZZHRC-UHFFFAOYSA-N
XLogP2.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide (CID 138031637) is 5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide is Cc1ncc(C(C)NC(=O)c2nnn(C(C)C)c2C)s1.
What is the InChIKey of 5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide?
The InChIKey is VGNHSZZNYZZHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-7(2)18-9(4)12(16-17-18)13(19)15-8(3)11-6-14-10(5)20-11/h6-8H,1-5H3,(H,15,19).
What are the key properties of 5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide?
5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 138031637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).