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

C13H19N5OS — CID 86792370

IUPAC5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide
SMILESCCc1cnc(C(=O)NCc2nnc(C(C)C)n2C)s1
InChIInChI=1S/C13H19N5OS/c1-5-9-6-15-13(20-9)12(19)14-7-10-16-17-11(8(2)3)18(10)4/h6,8H,5,7H2,1-4H3,(H,14,19)
InChIKeyATUZMAZIGAYNOS-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.89
Rot. Bonds5

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

5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide (PubChem CID 86792370) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide
PubChem CID86792370
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide
SMILESCCc1cnc(C(=O)NCc2nnc(C(C)C)n2C)s1
InChIInChI=1S/C13H19N5OS/c1-5-9-6-15-13(20-9)12(19)14-7-10-16-17-11(8(2)3)18(10)4/h6,8H,5,7H2,1-4H3,(H,14,19)
InChIKeyATUZMAZIGAYNOS-UHFFFAOYSA-N
XLogP1.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide (CID 86792370) is 5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide is CCc1cnc(C(=O)NCc2nnc(C(C)C)n2C)s1.
What is the InChIKey of 5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide?
The InChIKey is ATUZMAZIGAYNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-9-6-15-13(20-9)12(19)14-7-10-16-17-11(8(2)3)18(10)4/h6,8H,5,7H2,1-4H3,(H,14,19).
What are the key properties of 5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide?
5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 86792370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).