2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide

C13H21N3OS2 — CID 43117451

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide
SMILESCc1nc(N)sc1SC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H21N3OS2/c1-8-12(19-13(14)15-8)18-9(2)11(17)16-10-6-4-3-5-7-10/h9-10H,3-7H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyQXROSKHJZVQJQE-UHFFFAOYSA-N
MW299.47 g/mol
LogP2.96
Rot. Bonds4

About 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide (PubChem CID 43117451) has the molecular formula C13H21N3OS2 and a molecular weight of 299.47 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide
PubChem CID43117451
Molecular FormulaC13H21N3OS2
Molecular Weight299.47 g/mol
Exact Mass299.11
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide
SMILESCc1nc(N)sc1SC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H21N3OS2/c1-8-12(19-13(14)15-8)18-9(2)11(17)16-10-6-4-3-5-7-10/h9-10H,3-7H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyQXROSKHJZVQJQE-UHFFFAOYSA-N
XLogP2.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide 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 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide (CID 43117451) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide is Cc1nc(N)sc1SC(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide?
The InChIKey is QXROSKHJZVQJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS2/c1-8-12(19-13(14)15-8)18-9(2)11(17)16-10-6-4-3-5-7-10/h9-10H,3-7H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide has a molecular weight of 299.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide is sourced from PubChem (CID 43117451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).