5-chloro-2-(thiolan-3-yl)-1,3-thiazole

C7H8ClNS2 — CID 117259063

IUPAC5-chloro-2-(thiolan-3-yl)-1,3-thiazole
SMILESClc1cnc(C2CCSC2)s1
InChIInChI=1S/C7H8ClNS2/c8-6-3-9-7(11-6)5-1-2-10-4-5/h3,5H,1-2,4H2
InChIKeyPCYHRYNYTPSVOU-UHFFFAOYSA-N
MW205.73 g/mol
LogP3.02
Rot. Bonds1

About 5-chloro-2-(thiolan-3-yl)-1,3-thiazole

5-chloro-2-(thiolan-3-yl)-1,3-thiazole (PubChem CID 117259063) has the molecular formula C7H8ClNS2 and a molecular weight of 205.73 g/mol. Its IUPAC name is 5-chloro-2-(thiolan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-(thiolan-3-yl)-1,3-thiazole
PubChem CID117259063
Molecular FormulaC7H8ClNS2
Molecular Weight205.73 g/mol
Exact Mass204.98
IUPAC Name5-chloro-2-(thiolan-3-yl)-1,3-thiazole
SMILESClc1cnc(C2CCSC2)s1
InChIInChI=1S/C7H8ClNS2/c8-6-3-9-7(11-6)5-1-2-10-4-5/h3,5H,1-2,4H2
InChIKeyPCYHRYNYTPSVOU-UHFFFAOYSA-N
XLogP3.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(thiolan-3-yl)-1,3-thiazole?
The IUPAC name of 5-chloro-2-(thiolan-3-yl)-1,3-thiazole (CID 117259063) is 5-chloro-2-(thiolan-3-yl)-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-(thiolan-3-yl)-1,3-thiazole?
The canonical SMILES for 5-chloro-2-(thiolan-3-yl)-1,3-thiazole is Clc1cnc(C2CCSC2)s1.
What is the InChIKey of 5-chloro-2-(thiolan-3-yl)-1,3-thiazole?
The InChIKey is PCYHRYNYTPSVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNS2/c8-6-3-9-7(11-6)5-1-2-10-4-5/h3,5H,1-2,4H2.
What are the key properties of 5-chloro-2-(thiolan-3-yl)-1,3-thiazole?
5-chloro-2-(thiolan-3-yl)-1,3-thiazole has a molecular weight of 205.73 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(thiolan-3-yl)-1,3-thiazole is sourced from PubChem (CID 117259063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).