2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile

C18H13ClN2OS — CID 59786319

IUPAC2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C18H13ClN2OS/c19-15-6-7-17(22-11-13-4-2-1-3-5-13)14(8-15)9-18-21-16(10-20)12-23-18/h1-8,12H,9,11H2
InChIKeyKBHOYNPKEXNIDM-UHFFFAOYSA-N
MW340.84 g/mol
LogP4.84
Rot. Bonds5

About 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile

2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile (PubChem CID 59786319) has the molecular formula C18H13ClN2OS and a molecular weight of 340.84 g/mol. Its IUPAC name is 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile
PubChem CID59786319
Molecular FormulaC18H13ClN2OS
Molecular Weight340.84 g/mol
Exact Mass340.04
IUPAC Name2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C18H13ClN2OS/c19-15-6-7-17(22-11-13-4-2-1-3-5-13)14(8-15)9-18-21-16(10-20)12-23-18/h1-8,12H,9,11H2
InChIKeyKBHOYNPKEXNIDM-UHFFFAOYSA-N
XLogP4.84
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 59786385
N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 59786292
tert-butyl N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]carbamate
CID 59786415
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole
CID 59786346
2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile
CID 67658901
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole
CID 59786289
N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 11978486
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 67659151
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-thiazole;hydrochloride
CID 69320765
3-[[4-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 142249318

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile (CID 59786319) is 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile is N#Cc1csc(Cc2cc(Cl)ccc2OCc2ccccc2)n1.
What is the InChIKey of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile?
The InChIKey is KBHOYNPKEXNIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2OS/c19-15-6-7-17(22-11-13-4-2-1-3-5-13)14(8-15)9-18-21-16(10-20)12-23-18/h1-8,12H,9,11H2.
What are the key properties of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile?
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile has a molecular weight of 340.84 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 59786319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).