N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

C13H19N5OS — CID 122558312

IUPACN-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCCc1nc(C)c(CNC(=O)C(C)n2cncn2)s1
InChIInChI=1S/C13H19N5OS/c1-4-5-12-17-9(2)11(20-12)6-15-13(19)10(3)18-8-14-7-16-18/h7-8,10H,4-6H2,1-3H3,(H,15,19)
InChIKeyCHQIQXNUGDGXDI-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.87
Rot. Bonds6

About N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 122558312) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID122558312
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCCc1nc(C)c(CNC(=O)C(C)n2cncn2)s1
InChIInChI=1S/C13H19N5OS/c1-4-5-12-17-9(2)11(20-12)6-15-13(19)10(3)18-8-14-7-16-18/h7-8,10H,4-6H2,1-3H3,(H,15,19)
InChIKeyCHQIQXNUGDGXDI-UHFFFAOYSA-N
XLogP1.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 122558312) is N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is CCCc1nc(C)c(CNC(=O)C(C)n2cncn2)s1.
What is the InChIKey of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is CHQIQXNUGDGXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-4-5-12-17-9(2)11(20-12)6-15-13(19)10(3)18-8-14-7-16-18/h7-8,10H,4-6H2,1-3H3,(H,15,19).
What are the key properties of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 293.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 122558312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).