[2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone

C21H19ClN2O2S2 — CID 46068232

IUPAC[2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1csc(-c2ccccc2OCc2cccc(Cl)c2)n1)N1CCSCC1
InChIInChI=1S/C21H19ClN2O2S2/c22-16-5-3-4-15(12-16)13-26-19-7-2-1-6-17(19)20-23-18(14-28-20)21(25)24-8-10-27-11-9-24/h1-7,12,14H,8-11,13H2
InChIKeyORAIJDFULZLCFL-UHFFFAOYSA-N
MW430.98 g/mol
LogP5.23
Rot. Bonds5

About [2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone

[2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 46068232) has the molecular formula C21H19ClN2O2S2 and a molecular weight of 430.98 g/mol. Its IUPAC name is [2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID46068232
Molecular FormulaC21H19ClN2O2S2
Molecular Weight430.98 g/mol
Exact Mass430.06
IUPAC Name[2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1csc(-c2ccccc2OCc2cccc(Cl)c2)n1)N1CCSCC1
InChIInChI=1S/C21H19ClN2O2S2/c22-16-5-3-4-15(12-16)13-26-19-7-2-1-6-17(19)20-23-18(14-28-20)21(25)24-8-10-27-11-9-24/h1-7,12,14H,8-11,13H2
InChIKeyORAIJDFULZLCFL-UHFFFAOYSA-N
XLogP5.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-chlorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42866356
1-[4-[2-[4-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 46065776
[2-[2-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 46068126
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866355
N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46068253
2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068245
N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434
2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46067362
morpholin-4-yl-[2-(2-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 46067271
1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154743864
[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 46068140

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone (CID 46068232) is [2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone is O=C(c1csc(-c2ccccc2OCc2cccc(Cl)c2)n1)N1CCSCC1.
What is the InChIKey of [2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is ORAIJDFULZLCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2S2/c22-16-5-3-4-15(12-16)13-26-19-7-2-1-6-17(19)20-23-18(14-28-20)21(25)24-8-10-27-11-9-24/h1-7,12,14H,8-11,13H2.
What are the key properties of [2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
[2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 430.98 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 46068232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).