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

C11H15N5OS — CID 113387499

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1cnc(C(C)NC(=O)c2n[nH]c(C)n2)s1
InChIInChI=1S/C11H15N5OS/c1-4-8-5-12-11(18-8)6(2)13-10(17)9-14-7(3)15-16-9/h5-6H,4H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyJXQLJXTYSVISGC-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.62
Rot. Bonds4

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

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 113387499) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID113387499
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1cnc(C(C)NC(=O)c2n[nH]c(C)n2)s1
InChIInChI=1S/C11H15N5OS/c1-4-8-5-12-11(18-8)6(2)13-10(17)9-14-7(3)15-16-9/h5-6H,4H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyJXQLJXTYSVISGC-UHFFFAOYSA-N
XLogP1.62
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide (CID 113387499) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide is CCc1cnc(C(C)NC(=O)c2n[nH]c(C)n2)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is JXQLJXTYSVISGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-4-8-5-12-11(18-8)6(2)13-10(17)9-14-7(3)15-16-9/h5-6H,4H2,1-3H3,(H,13,17)(H,14,15,16).
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 113387499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).