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

C11H17N3OS2 — CID 3370988

IUPAC4-amino-N-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCn1c(N)c(C(=O)NC2CCCC2)sc1=S
InChIInChI=1S/C11H17N3OS2/c1-2-14-9(12)8(17-11(14)16)10(15)13-7-5-3-4-6-7/h7H,2-6,12H2,1H3,(H,13,15)
InChIKeyJCWPKKMELPFIAT-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.55
Rot. Bonds3

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

4-amino-N-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 3370988) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-amino-N-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID3370988
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC Name4-amino-N-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCn1c(N)c(C(=O)NC2CCCC2)sc1=S
InChIInChI=1S/C11H17N3OS2/c1-2-14-9(12)8(17-11(14)16)10(15)13-7-5-3-4-6-7/h7H,2-6,12H2,1H3,(H,13,15)
InChIKeyJCWPKKMELPFIAT-UHFFFAOYSA-N
XLogP2.55
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.55
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-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 3370988) is 4-amino-N-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is CCn1c(N)c(C(=O)NC2CCCC2)sc1=S.
What is the InChIKey of 4-amino-N-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is JCWPKKMELPFIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c1-2-14-9(12)8(17-11(14)16)10(15)13-7-5-3-4-6-7/h7H,2-6,12H2,1H3,(H,13,15).
What are the key properties of 4-amino-N-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 271.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3370988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).