4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

C6H9N3OS2 — CID 651943

IUPAC4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCn1c(N)c(C(N)=O)sc1=S
InChIInChI=1S/C6H9N3OS2/c1-2-9-4(7)3(5(8)10)12-6(9)11/h2,7H2,1H3,(H2,8,10)
InChIKeyRXDZEBJWHTXTRV-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.98
Rot. Bonds2

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

4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 651943) has the molecular formula C6H9N3OS2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID651943
Molecular FormulaC6H9N3OS2
Molecular Weight203.29 g/mol
Exact Mass203.02
IUPAC Name4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCn1c(N)c(C(N)=O)sc1=S
InChIInChI=1S/C6H9N3OS2/c1-2-9-4(7)3(5(8)10)12-6(9)11/h2,7H2,1H3,(H2,8,10)
InChIKeyRXDZEBJWHTXTRV-UHFFFAOYSA-N
XLogP0.98
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.98
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-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 651943) is 4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is CCn1c(N)c(C(N)=O)sc1=S.
What is the InChIKey of 4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is RXDZEBJWHTXTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS2/c1-2-9-4(7)3(5(8)10)12-6(9)11/h2,7H2,1H3,(H2,8,10).
What are the key properties of 4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 203.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 651943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).