4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

C15H19N3O2S2 — CID 4278231

IUPAC4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCCCNC(=O)c1sc(=S)n(-c2ccccc2OC)c1N
InChIInChI=1S/C15H19N3O2S2/c1-3-4-9-17-14(19)12-13(16)18(15(21)22-12)10-7-5-6-8-11(10)20-2/h5-8H,3-4,9,16H2,1-2H3,(H,17,19)
InChIKeyMJFHXHLEEUQPNU-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.39
Rot. Bonds6

About 4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 4278231) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID4278231
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCCCNC(=O)c1sc(=S)n(-c2ccccc2OC)c1N
InChIInChI=1S/C15H19N3O2S2/c1-3-4-9-17-14(19)12-13(16)18(15(21)22-12)10-7-5-6-8-11(10)20-2/h5-8H,3-4,9,16H2,1-2H3,(H,17,19)
InChIKeyMJFHXHLEEUQPNU-UHFFFAOYSA-N
XLogP3.39
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_B(17)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-amino-N-butyl-3-(2-methoxyphenyl)-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

Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-methoxyphenyl)urea
CID 3152350
1-Cyclohexyl-3-(2-methoxyphenyl)urea
CID 307293
N-[2-[(4-methoxyphenyl)carbamothioylamino]ethyl]acetamide
CID 2162404
N-(2-methoxyphenyl)-3,3-dimethyl-2-oxoazetidine-1-carbothioamide
CID 2800763
(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 6172966
N-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}acetamide
CID 8240066
4-Thiazolidinone, 5-(ethoxymethylene)-3-(2-methoxyphenyl)-2-thioxo-
CID 292898
4-Amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3571647
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester
CID 224935
3-(2-Methoxy-phenyl)-2-thioxo-thiazolidin-4-one
CID 292895
N-(2-methoxyphenyl)morpholine-4-carboxamide
CID 759969

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 4278231) is 4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is CCCCNC(=O)c1sc(=S)n(-c2ccccc2OC)c1N.
What is the InChIKey of 4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is MJFHXHLEEUQPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-3-4-9-17-14(19)12-13(16)18(15(21)22-12)10-7-5-6-8-11(10)20-2/h5-8H,3-4,9,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4278231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).