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

C11H11N3O2S2 — CID 679173

IUPAC4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(=S)[nH]c2N)cc1
InChIInChI=1S/C11H11N3O2S2/c1-16-7-4-2-6(3-5-7)13-10(15)8-9(12)14-11(17)18-8/h2-5H,12H2,1H3,(H,13,15)(H,14,17)
InChIKeyWNLBOCUCNJBKEL-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.65
Rot. Bonds3

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

4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide (PubChem CID 679173) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide
PubChem CID679173
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC Name4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(=S)[nH]c2N)cc1
InChIInChI=1S/C11H11N3O2S2/c1-16-7-4-2-6(3-5-7)13-10(15)8-9(12)14-11(17)18-8/h2-5H,12H2,1H3,(H,13,15)(H,14,17)
InChIKeyWNLBOCUCNJBKEL-UHFFFAOYSA-N
XLogP2.65
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Phenacetin
CID 4754
N-(4-Methoxyphenyl)Acetamide
CID 5827
4-Thioureidoanisole
CID 667549
2,2,2-Trifluoro-N-(4-methoxy-phenyl)-acetamide
CID 101284
N-(4-methoxyphenyl)acrylamide
CID 82197
p-Methoxyphenylurea
CID 74066
3-(p-Ethoxyphenyl)-rhodanine
CID 98711
4'-Allyloxyacetanilide
CID 23103
methacetin-(methoxy-(13)C)
CID 9793926
Ethyl 3-(4-methoxyphenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
CID 741661
N-[2-[(4-methoxyphenyl)carbamothioylamino]ethyl]acetamide
CID 2162404
(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 6172966

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide (CID 679173) is 4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2sc(=S)[nH]c2N)cc1.
What is the InChIKey of 4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide?
The InChIKey is WNLBOCUCNJBKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c1-16-7-4-2-6(3-5-7)13-10(15)8-9(12)14-11(17)18-8/h2-5H,12H2,1H3,(H,13,15)(H,14,17).
What are the key properties of 4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide?
4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 679173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).