4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole

C12H11ClFNS — CID 79454763

IUPAC4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole
SMILESFc1ccccc1C(CCl)Cc1cscn1
InChIInChI=1S/C12H11ClFNS/c13-6-9(5-10-7-16-8-15-10)11-3-1-2-4-12(11)14/h1-4,7-9H,5-6H2
InChIKeyNXLHMCSCWRVJSU-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.85
Rot. Bonds4

About 4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole

4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole (PubChem CID 79454763) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole
PubChem CID79454763
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole
SMILESFc1ccccc1C(CCl)Cc1cscn1
InChIInChI=1S/C12H11ClFNS/c13-6-9(5-10-7-16-8-15-10)11-3-1-2-4-12(11)14/h1-4,7-9H,5-6H2
InChIKeyNXLHMCSCWRVJSU-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.85
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

2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79448591
N-[2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79439453
4-[3-chloro-2-(4-chlorophenyl)propyl]-1,3-thiazole
CID 79434311
3-[3-chloro-2-(2-fluorophenyl)propyl]-1-methylpyrazole
CID 82871988
1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
CID 65017845
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115996809
2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79420864
2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene
CID 79454612
1-(1-chloro-4-methylhexan-2-yl)-2-fluorobenzene
CID 79454381
4-[2-(chloromethyl)pentyl]-1,3-thiazole
CID 66036568
(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
1-[3-chloro-2-(2-fluorophenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795544

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole?
The IUPAC name of 4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole (CID 79454763) is 4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole.
What is the SMILES notation for 4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole?
The canonical SMILES for 4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole is Fc1ccccc1C(CCl)Cc1cscn1.
What is the InChIKey of 4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole?
The InChIKey is NXLHMCSCWRVJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c13-6-9(5-10-7-16-8-15-10)11-3-1-2-4-12(11)14/h1-4,7-9H,5-6H2.
What are the key properties of 4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole?
4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole has a molecular weight of 255.75 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole is sourced from PubChem (CID 79454763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).