5-chloro-2-pyrrolidin-1-yl-1,3-thiazole

C7H9ClN2S — CID 117260279

IUPAC5-chloro-2-pyrrolidin-1-yl-1,3-thiazole
SMILESClc1cnc(N2CCCC2)s1
InChIInChI=1S/C7H9ClN2S/c8-6-5-9-7(11-6)10-3-1-2-4-10/h5H,1-4H2
InChIKeyGEBVIBDXDMJMRU-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.40
Rot. Bonds1

About 5-chloro-2-pyrrolidin-1-yl-1,3-thiazole

5-chloro-2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 117260279) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 5-chloro-2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID117260279
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name5-chloro-2-pyrrolidin-1-yl-1,3-thiazole
SMILESClc1cnc(N2CCCC2)s1
InChIInChI=1S/C7H9ClN2S/c8-6-5-9-7(11-6)10-3-1-2-4-10/h5H,1-4H2
InChIKeyGEBVIBDXDMJMRU-UHFFFAOYSA-N
XLogP2.40
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 5-chloro-2-pyrrolidin-1-yl-1,3-thiazole (CID 117260279) is 5-chloro-2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 5-chloro-2-pyrrolidin-1-yl-1,3-thiazole is Clc1cnc(N2CCCC2)s1.
What is the InChIKey of 5-chloro-2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is GEBVIBDXDMJMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S/c8-6-5-9-7(11-6)10-3-1-2-4-10/h5H,1-4H2.
What are the key properties of 5-chloro-2-pyrrolidin-1-yl-1,3-thiazole?
5-chloro-2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 188.68 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 117260279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).