5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide

C11H18N4O2S — CID 134096897

IUPAC5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCCC(C)c1nsc(NC(=O)NC)c1C(N)=O
InChIInChI=1S/C11H18N4O2S/c1-4-5-6(2)8-7(9(12)16)10(18-15-8)14-11(17)13-3/h6H,4-5H2,1-3H3,(H2,12,16)(H2,13,14,17)
InChIKeyPSEAGPHRTCCZCF-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.90
Rot. Bonds5

About 5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide

5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 134096897) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID134096897
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCCC(C)c1nsc(NC(=O)NC)c1C(N)=O
InChIInChI=1S/C11H18N4O2S/c1-4-5-6(2)8-7(9(12)16)10(18-15-8)14-11(17)13-3/h6H,4-5H2,1-3H3,(H2,12,16)(H2,13,14,17)
InChIKeyPSEAGPHRTCCZCF-UHFFFAOYSA-N
XLogP1.90
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide (CID 134096897) is 5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide is CCCC(C)c1nsc(NC(=O)NC)c1C(N)=O.
What is the InChIKey of 5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is PSEAGPHRTCCZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-4-5-6(2)8-7(9(12)16)10(18-15-8)14-11(17)13-3/h6H,4-5H2,1-3H3,(H2,12,16)(H2,13,14,17).
What are the key properties of 5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide?
5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 134096897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).