N-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide

C14H22N2O2S2 — CID 21391828

IUPACN-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide
SMILESCCS(=O)c1ncc(C(=O)NCCCC2CCCC2)s1
InChIInChI=1S/C14H22N2O2S2/c1-2-20(18)14-16-10-12(19-14)13(17)15-9-5-8-11-6-3-4-7-11/h10-11H,2-9H2,1H3,(H,15,17)
InChIKeyQEMNHZFFNSEQOW-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.97
Rot. Bonds7

About N-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide

N-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide (PubChem CID 21391828) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide
PubChem CID21391828
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC NameN-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide
SMILESCCS(=O)c1ncc(C(=O)NCCCC2CCCC2)s1
InChIInChI=1S/C14H22N2O2S2/c1-2-20(18)14-16-10-12(19-14)13(17)15-9-5-8-11-6-3-4-7-11/h10-11H,2-9H2,1H3,(H,15,17)
InChIKeyQEMNHZFFNSEQOW-UHFFFAOYSA-N
XLogP2.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide (CID 21391828) is N-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide is CCS(=O)c1ncc(C(=O)NCCCC2CCCC2)s1.
What is the InChIKey of N-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide?
The InChIKey is QEMNHZFFNSEQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-2-20(18)14-16-10-12(19-14)13(17)15-9-5-8-11-6-3-4-7-11/h10-11H,2-9H2,1H3,(H,15,17).
What are the key properties of N-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide?
N-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide has a molecular weight of 314.48 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 21391828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).