4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

C14H23N3OS2 — CID 5141611

IUPAC4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCCCNC(=O)c1sc(=S)n(C2CCCCC2)c1N
InChIInChI=1S/C14H23N3OS2/c1-2-3-9-16-13(18)11-12(15)17(14(19)20-11)10-7-5-4-6-8-10/h10H,2-9,15H2,1H3,(H,16,18)
InChIKeySOFGTJQOAJPLKX-UHFFFAOYSA-N
MW313.49 g/mol
LogP3.90
Rot. Bonds5

About 4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 5141611) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID5141611
Molecular FormulaC14H23N3OS2
Molecular Weight313.49 g/mol
Exact Mass313.13
IUPAC Name4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCCCNC(=O)c1sc(=S)n(C2CCCCC2)c1N
InChIInChI=1S/C14H23N3OS2/c1-2-3-9-16-13(18)11-12(15)17(14(19)20-11)10-7-5-4-6-8-10/h10H,2-9,15H2,1H3,(H,16,18)
InChIKeySOFGTJQOAJPLKX-UHFFFAOYSA-N
XLogP3.90
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-Allyl-4-amino-N-cyclohexyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 752651
4-Amino-N-cyclohexyl-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 752652
4-Amino-3-ethyl-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione
CID 5019980
4-Amino-N-cyclopentyl-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 3370988
4-Amino-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 20110357
(4-Amino-3-cyclohexyl-2-sulfanylidene-1,3-thiazol-5-yl)-(azepan-1-yl)methanone
CID 20110491
4-amino-N,3-dicyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 20110496
4-amino-N-cyclohexyl-3-[3-(diethylamino)propyl]-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 46287497
4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 46287500
N-cyclohexyl-3,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 84324144

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 5141611) is 4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is CCCCNC(=O)c1sc(=S)n(C2CCCCC2)c1N.
What is the InChIKey of 4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is SOFGTJQOAJPLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-2-3-9-16-13(18)11-12(15)17(14(19)20-11)10-7-5-4-6-8-10/h10H,2-9,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 313.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 5141611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).