4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole

C13H13ClN2S — CID 778129

IUPAC4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole
SMILESClc1ccc(-c2csc(N3CCCC3)n2)cc1
InChIInChI=1S/C13H13ClN2S/c14-11-5-3-10(4-6-11)12-9-17-13(15-12)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2
InChIKeyWPFHXQLOHQNHNN-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.06
Rot. Bonds2

About 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole

4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 778129) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID778129
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole
SMILESClc1ccc(-c2csc(N3CCCC3)n2)cc1
InChIInChI=1S/C13H13ClN2S/c14-11-5-3-10(4-6-11)12-9-17-13(15-12)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2
InChIKeyWPFHXQLOHQNHNN-UHFFFAOYSA-N
XLogP4.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole (CID 778129) is 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole is Clc1ccc(-c2csc(N3CCCC3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is WPFHXQLOHQNHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c14-11-5-3-10(4-6-11)12-9-17-13(15-12)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2.
What are the key properties of 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole?
4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 264.78 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 778129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).