5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole

C12H11ClFNS — CID 28710048

IUPAC5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)c(C)c2)c(CCl)s1
InChIInChI=1S/C12H11ClFNS/c1-7-5-9(3-4-10(7)14)12-11(6-13)16-8(2)15-12/h3-5H,6H2,1-2H3
InChIKeyNWBYHIRXNYWFBB-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.30
Rot. Bonds2

About 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole

5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole (PubChem CID 28710048) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole
PubChem CID28710048
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)c(C)c2)c(CCl)s1
InChIInChI=1S/C12H11ClFNS/c1-7-5-9(3-4-10(7)14)12-11(6-13)16-8(2)15-12/h3-5H,6H2,1-2H3
InChIKeyNWBYHIRXNYWFBB-UHFFFAOYSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.30
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

5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 28710053
3-[5-(chloromethyl)-2-methyl-1,3-thiazol-4-yl]benzonitrile
CID 18621652
5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole
CID 28710033
4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole
CID 176575416
4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole
CID 5020924
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 82049536
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine
CID 62122450
[4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine
CID 82391992
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 82045060
5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole
CID 93189973
5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 62219778

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole (CID 28710048) is 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole is Cc1nc(-c2ccc(F)c(C)c2)c(CCl)s1.
What is the InChIKey of 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole?
The InChIKey is NWBYHIRXNYWFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-7-5-9(3-4-10(7)14)12-11(6-13)16-8(2)15-12/h3-5H,6H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole?
5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole has a molecular weight of 255.75 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 28710048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).