4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole

C12H9F2NS — CID 175371490

IUPAC4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole
SMILESFC1(F)C[C@H]1c1cccc(-c2cscn2)c1
InChIInChI=1S/C12H9F2NS/c13-12(14)5-10(12)8-2-1-3-9(4-8)11-6-16-7-15-11/h1-4,6-7,10H,5H2/t10-/m0/s1
InChIKeyBTNXVHWQPFZBRC-JTQLQIEISA-N
MW237.27 g/mol
LogP3.93
Rot. Bonds2

About 4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole

4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole (PubChem CID 175371490) has the molecular formula C12H9F2NS and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole
PubChem CID175371490
Molecular FormulaC12H9F2NS
Molecular Weight237.27 g/mol
Exact Mass237.04
IUPAC Name4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole
SMILESFC1(F)C[C@H]1c1cccc(-c2cscn2)c1
InChIInChI=1S/C12H9F2NS/c13-12(14)5-10(12)8-2-1-3-9(4-8)11-6-16-7-15-11/h1-4,6-7,10H,5H2/t10-/m0/s1
InChIKeyBTNXVHWQPFZBRC-JTQLQIEISA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole?
The IUPAC name of 4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole (CID 175371490) is 4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole?
The canonical SMILES for 4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole is FC1(F)C[C@H]1c1cccc(-c2cscn2)c1.
What is the InChIKey of 4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole?
The InChIKey is BTNXVHWQPFZBRC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H9F2NS/c13-12(14)5-10(12)8-2-1-3-9(4-8)11-6-16-7-15-11/h1-4,6-7,10H,5H2/t10-/m0/s1.
What are the key properties of 4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole?
4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole has a molecular weight of 237.27 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 175371490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).