2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole

C11H16FNS — CID 155202612

IUPAC2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole
SMILESCC(C)(C)c1nc(C2(CF)CC2)cs1
InChIInChI=1S/C11H16FNS/c1-10(2,3)9-13-8(6-14-9)11(7-12)4-5-11/h6H,4-5,7H2,1-3H3
InChIKeyNGAFRBQCSBBPGG-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.44
Rot. Bonds2

About 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole

2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole (PubChem CID 155202612) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole
PubChem CID155202612
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole
SMILESCC(C)(C)c1nc(C2(CF)CC2)cs1
InChIInChI=1S/C11H16FNS/c1-10(2,3)9-13-8(6-14-9)11(7-12)4-5-11/h6H,4-5,7H2,1-3H3
InChIKeyNGAFRBQCSBBPGG-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole?
The IUPAC name of 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole (CID 155202612) is 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole is CC(C)(C)c1nc(C2(CF)CC2)cs1.
What is the InChIKey of 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole?
The InChIKey is NGAFRBQCSBBPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-10(2,3)9-13-8(6-14-9)11(7-12)4-5-11/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole?
2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole has a molecular weight of 213.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole is sourced from PubChem (CID 155202612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).