2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile

C11H7ClN2OS — CID 102724111

IUPAC2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2cncs2)cc1Cl
InChIInChI=1S/C11H7ClN2OS/c12-11-3-9(2-1-8(11)4-13)15-6-10-5-14-7-16-10/h1-3,5,7H,6H2
InChIKeyFZMIKJJJTFWWPV-UHFFFAOYSA-N
MW250.71 g/mol
LogP3.25
Rot. Bonds3

About 2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile

2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile (PubChem CID 102724111) has the molecular formula C11H7ClN2OS and a molecular weight of 250.71 g/mol. Its IUPAC name is 2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
PubChem CID102724111
Molecular FormulaC11H7ClN2OS
Molecular Weight250.71 g/mol
Exact Mass250.00
IUPAC Name2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2cncs2)cc1Cl
InChIInChI=1S/C11H7ClN2OS/c12-11-3-9(2-1-8(11)4-13)15-6-10-5-14-7-16-10/h1-3,5,7H,6H2
InChIKeyFZMIKJJJTFWWPV-UHFFFAOYSA-N
XLogP3.25
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 102724377
5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 112645504
2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile
CID 143118215
2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide
CID 102724829
2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 102674643
2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
CID 102723978
4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
CID 62945870
2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile
CID 102724091
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640166
5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
CID 112640679

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile?
The IUPAC name of 2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile (CID 102724111) is 2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile.
What is the SMILES notation for 2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile?
The canonical SMILES for 2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile is N#Cc1ccc(OCc2cncs2)cc1Cl.
What is the InChIKey of 2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile?
The InChIKey is FZMIKJJJTFWWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2OS/c12-11-3-9(2-1-8(11)4-13)15-6-10-5-14-7-16-10/h1-3,5,7H,6H2.
What are the key properties of 2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile?
2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile has a molecular weight of 250.71 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile is sourced from PubChem (CID 102724111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).