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

C12H11Cl2NS — CID 94281736

IUPAC4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
SMILESClCCCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H11Cl2NS/c13-7-1-2-12-15-11(8-16-12)9-3-5-10(14)6-4-9/h3-6,8H,1-2,7H2
InChIKeyCGWIIIVXTIUUOG-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.63
Rot. Bonds4

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

4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole (PubChem CID 94281736) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
PubChem CID94281736
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC Name4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
SMILESClCCCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H11Cl2NS/c13-7-1-2-12-15-11(8-16-12)9-3-5-10(14)6-4-9/h3-6,8H,1-2,7H2
InChIKeyCGWIIIVXTIUUOG-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole
CID 82117610
4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole
CID 82124733
4-(4-chlorophenyl)-2-(ethoxymethyl)-1,3-thiazole
CID 167790638
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
CID 1482059
3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62668340
4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole
CID 116968611
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol
CID 82123236
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propane-1-thiol
CID 116968932

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole (CID 94281736) is 4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole is ClCCCc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole?
The InChIKey is CGWIIIVXTIUUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c13-7-1-2-12-15-11(8-16-12)9-3-5-10(14)6-4-9/h3-6,8H,1-2,7H2.
What are the key properties of 4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole?
4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole has a molecular weight of 272.20 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole is sourced from PubChem (CID 94281736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).