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

C11H11N3OS2 — CID 660533

IUPAC4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-n2c(N)c(C(N)=O)sc2=S)cc1
InChIInChI=1S/C11H11N3OS2/c1-6-2-4-7(5-3-6)14-9(12)8(10(13)15)17-11(14)16/h2-5H,12H2,1H3,(H2,13,15)
InChIKeyGZKHVEWXJMRSFD-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.26
Rot. Bonds2

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

4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 660533) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID660533
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-n2c(N)c(C(N)=O)sc2=S)cc1
InChIInChI=1S/C11H11N3OS2/c1-6-2-4-7(5-3-6)14-9(12)8(10(13)15)17-11(14)16/h2-5H,12H2,1H3,(H2,13,15)
InChIKeyGZKHVEWXJMRSFD-UHFFFAOYSA-N
XLogP2.26
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 660533) is 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is Cc1ccc(-n2c(N)c(C(N)=O)sc2=S)cc1.
What is the InChIKey of 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is GZKHVEWXJMRSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-6-2-4-7(5-3-6)14-9(12)8(10(13)15)17-11(14)16/h2-5H,12H2,1H3,(H2,13,15).
What are the key properties of 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 660533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).