4-chloro-2-(4-propylphenyl)-1,3-thiazole

C12H12ClNS — CID 83158999

IUPAC4-chloro-2-(4-propylphenyl)-1,3-thiazole
SMILESCCCc1ccc(-c2nc(Cl)cs2)cc1
InChIInChI=1S/C12H12ClNS/c1-2-3-9-4-6-10(7-5-9)12-14-11(13)8-15-12/h4-8H,2-3H2,1H3
InChIKeyPTUPIVOEFNRMKH-UHFFFAOYSA-N
MW237.76 g/mol
LogP4.42
Rot. Bonds3

About 4-chloro-2-(4-propylphenyl)-1,3-thiazole

4-chloro-2-(4-propylphenyl)-1,3-thiazole (PubChem CID 83158999) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is 4-chloro-2-(4-propylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(4-propylphenyl)-1,3-thiazole
PubChem CID83158999
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name4-chloro-2-(4-propylphenyl)-1,3-thiazole
SMILESCCCc1ccc(-c2nc(Cl)cs2)cc1
InChIInChI=1S/C12H12ClNS/c1-2-3-9-4-6-10(7-5-9)12-14-11(13)8-15-12/h4-8H,2-3H2,1H3
InChIKeyPTUPIVOEFNRMKH-UHFFFAOYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole
CID 170887766
4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline
CID 43667849
3-[2-(4-propylphenyl)-1,3-thiazol-4-yl]propanenitrile
CID 116890055
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole
CID 62923597
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole
CID 83158313
4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole
CID 82087844
(E)-3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-(4-propylbenzoyl)prop-2-enenitrile
CID 18274205
4-chloro-2-(3-fluoro-5-methylphenyl)-1,3-thiazole
CID 83157998
4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 116892268
2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanol
CID 94267224

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-propylphenyl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(4-propylphenyl)-1,3-thiazole (CID 83158999) is 4-chloro-2-(4-propylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(4-propylphenyl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(4-propylphenyl)-1,3-thiazole is CCCc1ccc(-c2nc(Cl)cs2)cc1.
What is the InChIKey of 4-chloro-2-(4-propylphenyl)-1,3-thiazole?
The InChIKey is PTUPIVOEFNRMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c1-2-3-9-4-6-10(7-5-9)12-14-11(13)8-15-12/h4-8H,2-3H2,1H3.
What are the key properties of 4-chloro-2-(4-propylphenyl)-1,3-thiazole?
4-chloro-2-(4-propylphenyl)-1,3-thiazole has a molecular weight of 237.76 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-propylphenyl)-1,3-thiazole is sourced from PubChem (CID 83158999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).