3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide

C13H20N6OS — CID 118795071

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCC(C)n1cnnc1CCNC(=O)CCc1csc(N)n1
InChIInChI=1S/C13H20N6OS/c1-9(2)19-8-16-18-11(19)5-6-15-12(20)4-3-10-7-21-13(14)17-10/h7-9H,3-6H2,1-2H3,(H2,14,17)(H,15,20)
InChIKeySOVASJWKKMRGGK-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.19
Rot. Bonds7

About 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide

3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide (PubChem CID 118795071) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide
PubChem CID118795071
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCC(C)n1cnnc1CCNC(=O)CCc1csc(N)n1
InChIInChI=1S/C13H20N6OS/c1-9(2)19-8-16-18-11(19)5-6-15-12(20)4-3-10-7-21-13(14)17-10/h7-9H,3-6H2,1-2H3,(H2,14,17)(H,15,20)
InChIKeySOVASJWKKMRGGK-UHFFFAOYSA-N
XLogP1.19
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide (CID 118795071) is 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide is CC(C)n1cnnc1CCNC(=O)CCc1csc(N)n1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide?
The InChIKey is SOVASJWKKMRGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-9(2)19-8-16-18-11(19)5-6-15-12(20)4-3-10-7-21-13(14)17-10/h7-9H,3-6H2,1-2H3,(H2,14,17)(H,15,20).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide has a molecular weight of 308.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 118795071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).