4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

C11H13N3O2S2 — CID 3245795

IUPAC4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCn1c(N)c(C(=O)NCc2ccco2)sc1=S
InChIInChI=1S/C11H13N3O2S2/c1-2-14-9(12)8(18-11(14)17)10(15)13-6-7-4-3-5-16-7/h3-5H,2,6,12H2,1H3,(H,13,15)
InChIKeyKNPAWBTZPKGZAA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.40
Rot. Bonds4

About 4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 3245795) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID3245795
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCn1c(N)c(C(=O)NCc2ccco2)sc1=S
InChIInChI=1S/C11H13N3O2S2/c1-2-14-9(12)8(18-11(14)17)10(15)13-6-7-4-3-5-16-7/h3-5H,2,6,12H2,1H3,(H,13,15)
InChIKeyKNPAWBTZPKGZAA-UHFFFAOYSA-N
XLogP2.40
TPSA73.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 3245795) is 4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is CCn1c(N)c(C(=O)NCc2ccco2)sc1=S.
What is the InChIKey of 4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is KNPAWBTZPKGZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-2-14-9(12)8(18-11(14)17)10(15)13-6-7-4-3-5-16-7/h3-5H,2,6,12H2,1H3,(H,13,15).
What are the key properties of 4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3245795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).