4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole

C13H12FNS — CID 112691564

IUPAC4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole
SMILESFc1ccccc1Cc1nc(C2CC2)cs1
InChIInChI=1S/C13H12FNS/c14-11-4-2-1-3-10(11)7-13-15-12(8-16-13)9-5-6-9/h1-4,8-9H,5-7H2
InChIKeyFXOVHJPZUQVEBZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.75
Rot. Bonds3

About 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole

4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole (PubChem CID 112691564) has the molecular formula C13H12FNS and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole
PubChem CID112691564
Molecular FormulaC13H12FNS
Molecular Weight233.31 g/mol
Exact Mass233.07
IUPAC Name4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole
SMILESFc1ccccc1Cc1nc(C2CC2)cs1
InChIInChI=1S/C13H12FNS/c14-11-4-2-1-3-10(11)7-13-15-12(8-16-13)9-5-6-9/h1-4,8-9H,5-7H2
InChIKeyFXOVHJPZUQVEBZ-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119600962
1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166749
[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane
CID 170294315
methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 79016822
2-[cyclopropyl-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119203417
(2S)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 99639921
2-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 126789609
[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone
CID 136545307
2-[(2-fluorophenyl)methyl]-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 111460007
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 33302254
1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852667
2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 86967605

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole (CID 112691564) is 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole is Fc1ccccc1Cc1nc(C2CC2)cs1.
What is the InChIKey of 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole?
The InChIKey is FXOVHJPZUQVEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNS/c14-11-4-2-1-3-10(11)7-13-15-12(8-16-13)9-5-6-9/h1-4,8-9H,5-7H2.
What are the key properties of 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole?
4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole has a molecular weight of 233.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 112691564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).