4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

C17H15N3OS2 — CID 3430275

IUPAC4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCn1c(N)c(C(=O)Nc2ccc(-c3ccccc3)cc2)sc1=S
InChIInChI=1S/C17H15N3OS2/c1-20-15(18)14(23-17(20)22)16(21)19-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,18H2,1H3,(H,19,21)
InChIKeyNCDHOKORGKSITG-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.32
Rot. Bonds3

About 4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 3430275) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID3430275
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC Name4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCn1c(N)c(C(=O)Nc2ccc(-c3ccccc3)cc2)sc1=S
InChIInChI=1S/C17H15N3OS2/c1-20-15(18)14(23-17(20)22)16(21)19-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,18H2,1H3,(H,19,21)
InChIKeyNCDHOKORGKSITG-UHFFFAOYSA-N
XLogP4.32
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-methyl-N-(4-phenylphenyl)-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

5-(4-(Dimethylamino)benzylidene)rhodanine
CID 2723826
4-Dimethylaminobenzylidenerhodanine
CID 1273211
p-Dimethylaminobenzalrhodanine
CID 1273212
3,5-diphenyl-2-thioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 2860217
Piperidine, 1-((4-amino-2,3-dihydro-3-(4-methylphenyl)-2-thioxo-5-thiazolyl)carbonyl)-
CID 2187510
3-Allyl-4-amino-N-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 752653
4-Amino-3-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 660533
[4-Amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 889983
4-amino-N-ethyl-3-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 1545965
N-(4-methylphenyl)-4-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
CID 2066824
5-[(Dimethylamino)methylidene]-3-(4-isopropylphenyl)-2-thioxo-1,3-thiazolan-4-one
CID 2732121
N-[4-({[(4-isopropylphenyl)amino]carbonothioyl}amino)phenyl]-N-methylacetamide hydrochloride
CID 2957288

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 3430275) is 4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is Cn1c(N)c(C(=O)Nc2ccc(-c3ccccc3)cc2)sc1=S.
What is the InChIKey of 4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is NCDHOKORGKSITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c1-20-15(18)14(23-17(20)22)16(21)19-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(4-phenylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3430275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).