4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

C11H11N3OS2 — CID 705086

IUPAC4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(=S)n(-c2ccccc2)c1N
InChIInChI=1S/C11H11N3OS2/c1-13-10(15)8-9(12)14(11(16)17-8)7-5-3-2-4-6-7/h2-6H,12H2,1H3,(H,13,15)
InChIKeyAAARPXQHWWJBAK-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.21
Rot. Bonds2

About 4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 705086) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID705086
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(=S)n(-c2ccccc2)c1N
InChIInChI=1S/C11H11N3OS2/c1-13-10(15)8-9(12)14(11(16)17-8)7-5-3-2-4-6-7/h2-6H,12H2,1H3,(H,13,15)
InChIKeyAAARPXQHWWJBAK-UHFFFAOYSA-N
XLogP2.21
TPSA60.05 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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_B(17)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Morpholine, 4-((4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolyl)carbonyl)-
CID 866380
Piperidine, 1-((4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolyl)carbonyl)-
CID 866378
3-methyl-6-(methylamino)-1-phenylpyrimidine-2,4(1H,3H)-dione
CID 3549761
Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate
CID 866382
4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3769533
3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
CID 135408962
6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 1164574
3-Allyl-4-amino-N-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 752653
4-Amino-3-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 660533
5-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-4-carboxamide
CID 665786
4-amino-5-[(4-methyl-1-piperazinyl)carbonyl]-3-phenyl-1,3-thiazole-2(3H)-thione
CID 889170
4-amino-N-ethyl-3-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 1545965

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 705086) is 4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(=S)n(-c2ccccc2)c1N.
What is the InChIKey of 4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is AAARPXQHWWJBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-13-10(15)8-9(12)14(11(16)17-8)7-5-3-2-4-6-7/h2-6H,12H2,1H3,(H,13,15).
What are the key properties of 4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 705086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).