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

C8H13N3OS2 — CID 3243740

IUPAC4-amino-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1sc(=S)n(CC)c1N
InChIInChI=1S/C8H13N3OS2/c1-3-10-7(12)5-6(9)11(4-2)8(13)14-5/h3-4,9H2,1-2H3,(H,10,12)
InChIKeyJLQFLBFJAQCRIZ-UHFFFAOYSA-N
MW231.35 g/mol
LogP1.63
Rot. Bonds3

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

4-amino-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 3243740) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 4-amino-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID3243740
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name4-amino-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1sc(=S)n(CC)c1N
InChIInChI=1S/C8H13N3OS2/c1-3-10-7(12)5-6(9)11(4-2)8(13)14-5/h3-4,9H2,1-2H3,(H,10,12)
InChIKeyJLQFLBFJAQCRIZ-UHFFFAOYSA-N
XLogP1.63
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 51.63
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-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 3243740) is 4-amino-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is CCNC(=O)c1sc(=S)n(CC)c1N.
What is the InChIKey of 4-amino-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is JLQFLBFJAQCRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-3-10-7(12)5-6(9)11(4-2)8(13)14-5/h3-4,9H2,1-2H3,(H,10,12).
What are the key properties of 4-amino-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 231.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3243740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).