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

C19H19N3O2S2 — CID 3538175

IUPAC4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(=S)n(-c2ccc(C)c(C)c2)c1N
InChIInChI=1S/C19H19N3O2S2/c1-11-8-9-13(10-12(11)2)22-17(20)16(26-19(22)25)18(23)21-14-6-4-5-7-15(14)24-3/h4-10H,20H2,1-3H3,(H,21,23)
InChIKeyQMKYLYJAAJYKAV-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.73
Rot. Bonds4

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

4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 3538175) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID3538175
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(=S)n(-c2ccc(C)c(C)c2)c1N
InChIInChI=1S/C19H19N3O2S2/c1-11-8-9-13(10-12(11)2)22-17(20)16(26-19(22)25)18(23)21-14-6-4-5-7-15(14)24-3/h4-10H,20H2,1-3H3,(H,21,23)
InChIKeyQMKYLYJAAJYKAV-UHFFFAOYSA-N
XLogP4.73
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 5141636
4-amino-3-(2,5-dimethylphenyl)-N-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 46287552
4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 22333700
4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 27451372
N-(2,5-dimethylphenyl)-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897931
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897941
5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide
CID 831625
2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide
CID 3660329
3-N-(3,4-dimethylphenyl)-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108315
3-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 44616017
2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152845
3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 102081930

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 3538175) is 4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is COc1ccccc1NC(=O)c1sc(=S)n(-c2ccc(C)c(C)c2)c1N.
What is the InChIKey of 4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is QMKYLYJAAJYKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-11-8-9-13(10-12(11)2)22-17(20)16(26-19(22)25)18(23)21-14-6-4-5-7-15(14)24-3/h4-10H,20H2,1-3H3,(H,21,23).
What are the key properties of 4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3538175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).