2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole

C12H10ClNS — CID 112690258

IUPAC2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole
SMILESClc1cccc(-c2nc(C3CC3)cs2)c1
InChIInChI=1S/C12H10ClNS/c13-10-3-1-2-9(6-10)12-14-11(7-15-12)8-4-5-8/h1-3,6-8H,4-5H2
InChIKeyCHRQVPDSNRRMQG-UHFFFAOYSA-N
MW235.74 g/mol
LogP4.34
Rot. Bonds2

About 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole

2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole (PubChem CID 112690258) has the molecular formula C12H10ClNS and a molecular weight of 235.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole
PubChem CID112690258
Molecular FormulaC12H10ClNS
Molecular Weight235.74 g/mol
Exact Mass235.02
IUPAC Name2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole
SMILESClc1cccc(-c2nc(C3CC3)cs2)c1
InChIInChI=1S/C12H10ClNS/c13-10-3-1-2-9(6-10)12-14-11(7-15-12)8-4-5-8/h1-3,6-8H,4-5H2
InChIKeyCHRQVPDSNRRMQG-UHFFFAOYSA-N
XLogP4.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole?
The IUPAC name of 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole (CID 112690258) is 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole?
The canonical SMILES for 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole is Clc1cccc(-c2nc(C3CC3)cs2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole?
The InChIKey is CHRQVPDSNRRMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNS/c13-10-3-1-2-9(6-10)12-14-11(7-15-12)8-4-5-8/h1-3,6-8H,4-5H2.
What are the key properties of 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole?
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole has a molecular weight of 235.74 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole is sourced from PubChem (CID 112690258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).