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

C18H17N3O2S2 — CID 22333700

IUPAC4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(=S)n(Cc2ccccc2)c1N
InChIInChI=1S/C18H17N3O2S2/c1-23-14-10-6-5-9-13(14)20-17(22)15-16(19)21(18(24)25-15)11-12-7-3-2-4-8-12/h2-10H,11,19H2,1H3,(H,20,22)
InChIKeyPDDUFHKGBIGVJN-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.17
Rot. Bonds5

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

4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 22333700) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID22333700
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(=S)n(Cc2ccccc2)c1N
InChIInChI=1S/C18H17N3O2S2/c1-23-14-10-6-5-9-13(14)20-17(22)15-16(19)21(18(24)25-15)11-12-7-3-2-4-8-12/h2-10H,11,19H2,1H3,(H,20,22)
InChIKeyPDDUFHKGBIGVJN-UHFFFAOYSA-N
XLogP4.17
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.17
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-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 27451372
4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3538175
3-benzyl-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 9122793
2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide
CID 3660329
2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152845
1-benzyl-N-(2-methoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2430094
4-amino-3-(3-methoxyphenyl)-N-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 5141636
methyl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 1071074
5-amino-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)triazole-4-carboxamide
CID 7385975
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
N-(2-methoxyphenyl)-5-methyl-4-oxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 1078304
2-benzyl-N-(2-methoxyphenyl)benzamide
CID 26914966

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 22333700) is 4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is COc1ccccc1NC(=O)c1sc(=S)n(Cc2ccccc2)c1N.
What is the InChIKey of 4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is PDDUFHKGBIGVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-23-14-10-6-5-9-13(14)20-17(22)15-16(19)21(18(24)25-15)11-12-7-3-2-4-8-12/h2-10H,11,19H2,1H3,(H,20,22).
What are the key properties of 4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 22333700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).