5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole

C13H14FNS — CID 59271664

IUPAC5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1-c1ccc(C(C)C)cc1F
InChIInChI=1S/C13H14FNS/c1-8(2)10-4-5-11(12(14)6-10)13-9(3)15-7-16-13/h4-8H,1-3H3
InChIKeyUCTYXQUSQRNDKP-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.38
Rot. Bonds2

About 5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole

5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole (PubChem CID 59271664) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole
PubChem CID59271664
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1-c1ccc(C(C)C)cc1F
InChIInChI=1S/C13H14FNS/c1-8(2)10-4-5-11(12(14)6-10)13-9(3)15-7-16-13/h4-8H,1-3H3
InChIKeyUCTYXQUSQRNDKP-UHFFFAOYSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-(4-Methyl-1,3-thiazol-5-yl)phenyl)methanamine
CID 89689879
[2-(4-Fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] nitrate
CID 54670645
(S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethanamine
CID 122423107
2-(4-Fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 54670924
4,5-Diphenyl-1,3-thiazole
CID 837859
5-Thiazoleethanamine, 4-methyl-N-(1-methyl-2-phenylethyl)-, monohydrochloride
CID 11971059
4-(4-Methyl-1,3-thiazol-5-yl)benzonitrile
CID 19877181
[4-(4-Methyl-1,3-thiazol-5-yl)phenyl]methanamine dihydrochloride
CID 126766938
1-(4-Methyl-5-thiazolyl)-1-phenylmethylamine
CID 9881256
2-Methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 57542055
1-(Trifluoromethyl)-4-(2,4-dimethyl-5-thiazolyl)benzene
CID 58245749
5-(3-Fluorophenyl)-2,4-dimethyl-1,3-thiazole
CID 58245751

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole (CID 59271664) is 5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole is Cc1ncsc1-c1ccc(C(C)C)cc1F.
What is the InChIKey of 5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole?
The InChIKey is UCTYXQUSQRNDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-8(2)10-4-5-11(12(14)6-10)13-9(3)15-7-16-13/h4-8H,1-3H3.
What are the key properties of 5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole?
5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole has a molecular weight of 235.33 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 59271664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).