2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole

C8H12FNS — CID 159209209

IUPAC2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(C(C)F)s1
InChIInChI=1S/C8H12FNS/c1-5(2)7-4-10-8(11-7)6(3)9/h4-6H,1-3H3
InChIKeyVLNCKAJEHUWRIH-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.30
Rot. Bonds2

About 2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole

2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 159209209) has the molecular formula C8H12FNS and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole
PubChem CID159209209
Molecular FormulaC8H12FNS
Molecular Weight173.26 g/mol
Exact Mass173.07
IUPAC Name2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(C(C)F)s1
InChIInChI=1S/C8H12FNS/c1-5(2)7-4-10-8(11-7)6(3)9/h4-6H,1-3H3
InChIKeyVLNCKAJEHUWRIH-UHFFFAOYSA-N
XLogP3.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole
CID 116734663
5-propan-2-yl-2-[5-(4-propan-2-ylphenyl)hexan-2-yl]-1,3-thiazole
CID 155415812
2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole
CID 116734664
ethane;5-propan-2-yl-1,3-thiazol-2-amine
CID 178111483
2-tert-butyl-5-propan-2-yl-1,3-thiazole
CID 59135224
2-isocyano-5-propan-2-yl-1,3-thiazole
CID 177099753
N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide
CID 166021780
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 170759450
CID 174108698
CID 174108698
N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 59481359
2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole
CID 58350063
2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole
CID 107504782

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole (CID 159209209) is 2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole is CC(C)c1cnc(C(C)F)s1.
What is the InChIKey of 2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is VLNCKAJEHUWRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNS/c1-5(2)7-4-10-8(11-7)6(3)9/h4-6H,1-3H3.
What are the key properties of 2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole?
2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 173.26 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159209209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).