N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide

C19H17ClN2O2S — CID 59786385

IUPACN-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1csc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C19H17ClN2O2S/c1-13(23)21-18-12-25-19(22-18)10-15-9-16(20)7-8-17(15)24-11-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyGZWUTPKYYBWPGL-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.92
Rot. Bonds6

About N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide

N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 59786385) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID59786385
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC NameN-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1csc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C19H17ClN2O2S/c1-13(23)21-18-12-25-19(22-18)10-15-9-16(20)7-8-17(15)24-11-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyGZWUTPKYYBWPGL-UHFFFAOYSA-N
XLogP4.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]carbamate
CID 59786415
N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 59786292
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile
CID 59786319
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 11978486
tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate
CID 24753872
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[4-[(3-oxopiperazin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 59786378
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
6-acetamido-3-phenylmethoxypyridine-2-carboxylic acid
CID 15239997
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole
CID 59786346
6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 140535401

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide (CID 59786385) is N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide is CC(=O)Nc1csc(Cc2cc(Cl)ccc2OCc2ccccc2)n1.
What is the InChIKey of N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is GZWUTPKYYBWPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-13(23)21-18-12-25-19(22-18)10-15-9-16(20)7-8-17(15)24-11-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,21,23).
What are the key properties of N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide?
N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 372.88 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 59786385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).