4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole

C10H14FNS — CID 167065224

IUPAC4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(C2(CF)CC2)cs1
InChIInChI=1S/C10H14FNS/c1-7(2)9-12-8(5-13-9)10(6-11)3-4-10/h5,7H,3-4,6H2,1-2H3
InChIKeyKZMTZXJBNINPGB-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.27
Rot. Bonds3

About 4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole

4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 167065224) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole
PubChem CID167065224
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(C2(CF)CC2)cs1
InChIInChI=1S/C10H14FNS/c1-7(2)9-12-8(5-13-9)10(6-11)3-4-10/h5,7H,3-4,6H2,1-2H3
InChIKeyKZMTZXJBNINPGB-UHFFFAOYSA-N
XLogP3.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole (CID 167065224) is 4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(C2(CF)CC2)cs1.
What is the InChIKey of 4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is KZMTZXJBNINPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-7(2)9-12-8(5-13-9)10(6-11)3-4-10/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole?
4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 199.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 167065224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).