2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole

C12H10BrClFNS — CID 107923695

IUPAC2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole
SMILESFc1ccc(Br)c(-c2nc(CCCCl)cs2)c1
InChIInChI=1S/C12H10BrClFNS/c13-11-4-3-8(15)6-10(11)12-16-9(7-17-12)2-1-5-14/h3-4,6-7H,1-2,5H2
InChIKeyAEOAOEQCMQPRDA-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.88
Rot. Bonds4

About 2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole

2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole (PubChem CID 107923695) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole
PubChem CID107923695
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC Name2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole
SMILESFc1ccc(Br)c(-c2nc(CCCCl)cs2)c1
InChIInChI=1S/C12H10BrClFNS/c13-11-4-3-8(15)6-10(11)12-16-9(7-17-12)2-1-5-14/h3-4,6-7H,1-2,5H2
InChIKeyAEOAOEQCMQPRDA-UHFFFAOYSA-N
XLogP4.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.88
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

3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888275
2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116889010
2-(2-bromo-5-fluorophenyl)-4-phenyl-1,3-thiazole
CID 107924775
5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
CID 65179881
2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 62944104
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275577
4-(3-chloropropyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazole
CID 103399605
4-[2-(2-bromo-5-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 107924380
methyl 3-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039551
2-(4-bromothiophen-3-yl)-4-(chloromethyl)-1,3-thiazole
CID 130157549
4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole
CID 79719140
4-(3-chloropropyl)-2-(4-methylquinolin-2-yl)-1,3-thiazole
CID 114754541

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole (CID 107923695) is 2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole is Fc1ccc(Br)c(-c2nc(CCCCl)cs2)c1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole?
The InChIKey is AEOAOEQCMQPRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c13-11-4-3-8(15)6-10(11)12-16-9(7-17-12)2-1-5-14/h3-4,6-7H,1-2,5H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole?
2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole has a molecular weight of 334.64 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole is sourced from PubChem (CID 107923695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).