(4-cyclopentyl-1,3-thiazol-5-yl)methanethiol

C9H13NS2 — CID 174448874

IUPAC(4-cyclopentyl-1,3-thiazol-5-yl)methanethiol
SMILESSCc1scnc1C1CCCC1
InChIInChI=1S/C9H13NS2/c11-5-8-9(10-6-12-8)7-3-1-2-4-7/h6-7,11H,1-5H2
InChIKeyKKQANMACFMZUJN-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.23
Rot. Bonds2

About (4-cyclopentyl-1,3-thiazol-5-yl)methanethiol

(4-cyclopentyl-1,3-thiazol-5-yl)methanethiol (PubChem CID 174448874) has the molecular formula C9H13NS2 and a molecular weight of 199.34 g/mol. Its IUPAC name is (4-cyclopentyl-1,3-thiazol-5-yl)methanethiol.

Molecular Properties

Compound Name(4-cyclopentyl-1,3-thiazol-5-yl)methanethiol
PubChem CID174448874
Molecular FormulaC9H13NS2
Molecular Weight199.34 g/mol
Exact Mass199.05
IUPAC Name(4-cyclopentyl-1,3-thiazol-5-yl)methanethiol
SMILESSCc1scnc1C1CCCC1
InChIInChI=1S/C9H13NS2/c11-5-8-9(10-6-12-8)7-3-1-2-4-7/h6-7,11H,1-5H2
InChIKeyKKQANMACFMZUJN-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopentyl-1,3-thiazol-5-yl)methanethiol?
The IUPAC name of (4-cyclopentyl-1,3-thiazol-5-yl)methanethiol (CID 174448874) is (4-cyclopentyl-1,3-thiazol-5-yl)methanethiol.
What is the SMILES notation for (4-cyclopentyl-1,3-thiazol-5-yl)methanethiol?
The canonical SMILES for (4-cyclopentyl-1,3-thiazol-5-yl)methanethiol is SCc1scnc1C1CCCC1.
What is the InChIKey of (4-cyclopentyl-1,3-thiazol-5-yl)methanethiol?
The InChIKey is KKQANMACFMZUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS2/c11-5-8-9(10-6-12-8)7-3-1-2-4-7/h6-7,11H,1-5H2.
What are the key properties of (4-cyclopentyl-1,3-thiazol-5-yl)methanethiol?
(4-cyclopentyl-1,3-thiazol-5-yl)methanethiol has a molecular weight of 199.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyl-1,3-thiazol-5-yl)methanethiol is sourced from PubChem (CID 174448874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).