2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile

C12H8F2N2OS — CID 43145525

IUPAC2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile
SMILESN#CCc1nc(-c2cccc(OC(F)F)c2)cs1
InChIInChI=1S/C12H8F2N2OS/c13-12(14)17-9-3-1-2-8(6-9)10-7-18-11(16-10)4-5-15/h1-3,6-7,12H,4H2
InChIKeyCMBKOAANLUUULO-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.48
Rot. Bonds4

About 2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile

2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile (PubChem CID 43145525) has the molecular formula C12H8F2N2OS and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile
PubChem CID43145525
Molecular FormulaC12H8F2N2OS
Molecular Weight266.27 g/mol
Exact Mass266.03
IUPAC Name2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile
SMILESN#CCc1nc(-c2cccc(OC(F)F)c2)cs1
InChIInChI=1S/C12H8F2N2OS/c13-12(14)17-9-3-1-2-8(6-9)10-7-18-11(16-10)4-5-15/h1-3,6-7,12H,4H2
InChIKeyCMBKOAANLUUULO-UHFFFAOYSA-N
XLogP3.48
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine
CID 62667414
2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine
CID 62653135
2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole
CID 2742538
4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2742540
2-[3-(difluoromethoxy)phenyl]acetonitrile
CID 2737017
4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62946114
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile
CID 24708724
2-[4-(4-ethoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300635
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 24703190
3-[[4-(3-fluorooxyphenyl)-1,3-thiazol-2-yl]methylamino]propanoic acid
CID 139355189
2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 82118916
2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396261

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile?
The IUPAC name of 2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile (CID 43145525) is 2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile?
The canonical SMILES for 2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile is N#CCc1nc(-c2cccc(OC(F)F)c2)cs1.
What is the InChIKey of 2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile?
The InChIKey is CMBKOAANLUUULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2OS/c13-12(14)17-9-3-1-2-8(6-9)10-7-18-11(16-10)4-5-15/h1-3,6-7,12H,4H2.
What are the key properties of 2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile?
2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile has a molecular weight of 266.27 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile is sourced from PubChem (CID 43145525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).