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

C18H17N3OS2 — CID 3656404

IUPAC4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(=S)n(-c3ccccc3C)c2N)cc1
InChIInChI=1S/C18H17N3OS2/c1-11-7-9-13(10-8-11)20-17(22)15-16(19)21(18(23)24-15)14-6-4-3-5-12(14)2/h3-10H,19H2,1-2H3,(H,20,22)
InChIKeyFSORKLTUUSZMIM-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.72
Rot. Bonds3

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

4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 3656404) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID3656404
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC Name4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(=S)n(-c3ccccc3C)c2N)cc1
InChIInChI=1S/C18H17N3OS2/c1-11-7-9-13(10-8-11)20-17(22)15-16(19)21(18(23)24-15)14-6-4-3-5-12(14)2/h3-10H,19H2,1-2H3,(H,20,22)
InChIKeyFSORKLTUUSZMIM-UHFFFAOYSA-N
XLogP4.72
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2,5-dimethylphenyl)-N-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 46287552
4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 5141636
4-amino-N-(2,2-dimethoxyethyl)-3-(2,5-dimethylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 53367396
1-[(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea
CID 16751114
4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3538175
4-amino-3-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 46287575
1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
CID 14904628
methyl 3-[4-amino-5-[(2-methoxyphenyl)methylcarbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzoate
CID 27536978
5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide
CID 140862073
4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 42585841
7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426222
2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide
CID 134815708

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 3656404) is 4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2sc(=S)n(-c3ccccc3C)c2N)cc1.
What is the InChIKey of 4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is FSORKLTUUSZMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-11-7-9-13(10-8-11)20-17(22)15-16(19)21(18(23)24-15)14-6-4-3-5-12(14)2/h3-10H,19H2,1-2H3,(H,20,22).
What are the key properties of 4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3656404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).