4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole

C14H16ClNS — CID 82091885

IUPAC4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2nc(CCCl)cs2)cc1
InChIInChI=1S/C14H16ClNS/c1-10(2)11-3-5-12(6-4-11)14-16-13(7-8-15)9-17-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyPBAOZJUVFJTDLC-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.71
Rot. Bonds4

About 4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole

4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 82091885) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
PubChem CID82091885
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2nc(CCCl)cs2)cc1
InChIInChI=1S/C14H16ClNS/c1-10(2)11-3-5-12(6-4-11)14-16-13(7-8-15)9-17-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyPBAOZJUVFJTDLC-UHFFFAOYSA-N
XLogP4.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.71
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-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole
CID 82087844
1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890237
2-[methyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 119905952
4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 141083807
2-(3-bromo-4-methoxyphenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116888995
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-hydroxybenzoate
CID 7866808
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 7866892
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
cyanomethyl 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetate
CID 7804997
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole (CID 82091885) is 4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole is CC(C)c1ccc(-c2nc(CCCl)cs2)cc1.
What is the InChIKey of 4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is PBAOZJUVFJTDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-10(2)11-3-5-12(6-4-11)14-16-13(7-8-15)9-17-14/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole?
4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 265.81 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 82091885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).