2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone

C14H15ClN2O2S2 — CID 94676087

IUPAC2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCO1
InChIInChI=1S/C14H15ClN2O2S2/c1-9-7-17(4-5-19-9)13(18)6-10-8-20-14(16-10)11-2-3-12(15)21-11/h2-3,8-9H,4-7H2,1H3/t9-/m1/s1
InChIKeyLASHSWKMTOAORO-SECBINFHSA-N
MW342.87 g/mol
LogP3.31
Rot. Bonds3

About 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone

2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone (PubChem CID 94676087) has the molecular formula C14H15ClN2O2S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
PubChem CID94676087
Molecular FormulaC14H15ClN2O2S2
Molecular Weight342.87 g/mol
Exact Mass342.03
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCO1
InChIInChI=1S/C14H15ClN2O2S2/c1-9-7-17(4-5-19-9)13(18)6-10-8-20-14(16-10)11-2-3-12(15)21-11/h2-3,8-9H,4-7H2,1H3/t9-/m1/s1
InChIKeyLASHSWKMTOAORO-SECBINFHSA-N
XLogP3.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

(2R)-4-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704011
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110904420
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 167908848
1-[(2S)-2-ethylmorpholin-4-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 38000464
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62968869
(2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704017
2-[4-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholin-2-yl]acetic acid
CID 119247502
1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110631362
1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56520747
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55506929
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62366878
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 119137122

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone (CID 94676087) is 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone is C[C@@H]1CN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCO1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The InChIKey is LASHSWKMTOAORO-SECBINFHSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2/c1-9-7-17(4-5-19-9)13(18)6-10-8-20-14(16-10)11-2-3-12(15)21-11/h2-3,8-9H,4-7H2,1H3/t9-/m1/s1.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone has a molecular weight of 342.87 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 94676087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).