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

C18H17N3O2S2 — CID 5141636

IUPAC4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(-n2c(N)c(C(=O)Nc3ccccc3C)sc2=S)c1
InChIInChI=1S/C18H17N3O2S2/c1-11-6-3-4-9-14(11)20-17(22)15-16(19)21(18(24)25-15)12-7-5-8-13(10-12)23-2/h3-10H,19H2,1-2H3,(H,20,22)
InChIKeyMKMIFAUASGDINM-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.42
Rot. Bonds4

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

4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 5141636) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID5141636
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(-n2c(N)c(C(=O)Nc3ccccc3C)sc2=S)c1
InChIInChI=1S/C18H17N3O2S2/c1-11-6-3-4-9-14(11)20-17(22)15-16(19)21(18(24)25-15)12-7-5-8-13(10-12)23-2/h3-10H,19H2,1-2H3,(H,20,22)
InChIKeyMKMIFAUASGDINM-UHFFFAOYSA-N
XLogP4.42
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.42
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-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3538175
4-amino-3-(2,5-dimethylphenyl)-N-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 46287552
4-amino-3-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 46287575
5-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391928
5-(3-methoxyphenyl)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 10041572
4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 22333700
4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3769533
1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea
CID 95157772
6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100075
potassium 6-methoxy-3-[(2-methylphenyl)carbamoyl]naphthalen-2-olate
CID 71301113
3-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056868
2-N-(3-methoxyphenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091016

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 5141636) is 4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is COc1cccc(-n2c(N)c(C(=O)Nc3ccccc3C)sc2=S)c1.
What is the InChIKey of 4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is MKMIFAUASGDINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-11-6-3-4-9-14(11)20-17(22)15-16(19)21(18(24)25-15)12-7-5-8-13(10-12)23-2/h3-10H,19H2,1-2H3,(H,20,22).
What are the key properties of 4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 4.42, 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-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 5141636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).