[1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol

C10H15NOS2 — CID 106928097

IUPAC[1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol
SMILESSCC1(CSc2ncco2)CCCC1
InChIInChI=1S/C10H15NOS2/c13-7-10(3-1-2-4-10)8-14-9-11-5-6-12-9/h5-6,13H,1-4,7-8H2
InChIKeyIURIJOAJCCUYIN-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.26
Rot. Bonds4

About [1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol

[1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol (PubChem CID 106928097) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is [1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol.

Molecular Properties

Compound Name[1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol
PubChem CID106928097
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name[1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol
SMILESSCC1(CSc2ncco2)CCCC1
InChIInChI=1S/C10H15NOS2/c13-7-10(3-1-2-4-10)8-14-9-11-5-6-12-9/h5-6,13H,1-4,7-8H2
InChIKeyIURIJOAJCCUYIN-UHFFFAOYSA-N
XLogP3.26
TPSA26.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol
CID 106924555
2-(3-chloropropylsulfanyl)-1,3-oxazole
CID 106920963
2-(2-methylpropylsulfanyl)-1,3-oxazole
CID 59202102
3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanylmethyl)butane-1-thiol
CID 106928087
1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923940
4-(1,3-oxazol-2-ylsulfanylmethyl)cyclohexan-1-ol
CID 130599630
2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]pyrimidine
CID 65001300
2-(5-bromopentylsulfanyl)-1,3-oxazole
CID 106920965
2-methyl-3-[[1-(sulfanylmethyl)cycloheptyl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione
CID 107784796
2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 106924241
(2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
CID 130493422
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole
CID 106921258

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol?
The IUPAC name of [1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol (CID 106928097) is [1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol.
What is the SMILES notation for [1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol?
The canonical SMILES for [1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol is SCC1(CSc2ncco2)CCCC1.
What is the InChIKey of [1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol?
The InChIKey is IURIJOAJCCUYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c13-7-10(3-1-2-4-10)8-14-9-11-5-6-12-9/h5-6,13H,1-4,7-8H2.
What are the key properties of [1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol?
[1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol has a molecular weight of 229.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol is sourced from PubChem (CID 106928097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).