2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole

C13H10ClN3S — CID 47131638

IUPAC2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole
SMILESClc1ccc(-c2nc(Cn3ccnc3)cs2)cc1
InChIInChI=1S/C13H10ClN3S/c14-11-3-1-10(2-4-11)13-16-12(8-18-13)7-17-6-5-15-9-17/h1-6,8-9H,7H2
InChIKeyCVSCJPNCJQXAGF-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.71
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole

2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole (PubChem CID 47131638) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole
PubChem CID47131638
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole
SMILESClc1ccc(-c2nc(Cn3ccnc3)cs2)cc1
InChIInChI=1S/C13H10ClN3S/c14-11-3-1-10(2-4-11)13-16-12(8-18-13)7-17-6-5-15-9-17/h1-6,8-9H,7H2
InChIKeyCVSCJPNCJQXAGF-UHFFFAOYSA-N
XLogP3.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole (CID 47131638) is 2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole is Clc1ccc(-c2nc(Cn3ccnc3)cs2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole?
The InChIKey is CVSCJPNCJQXAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-11-3-1-10(2-4-11)13-16-12(8-18-13)7-17-6-5-15-9-17/h1-6,8-9H,7H2.
What are the key properties of 2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole?
2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole has a molecular weight of 275.76 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 47131638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).