(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone

C11H12ClNOS — CID 122331531

IUPAC(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCC1SCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNOS/c1-8-13(5-6-15-8)11(14)9-3-2-4-10(12)7-9/h2-4,7-8H,5-6H2,1H3
InChIKeyUURUZGHQJGJMMQ-UHFFFAOYSA-N
MW241.74 g/mol
LogP2.88
Rot. Bonds1

About (3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone

(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone (PubChem CID 122331531) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
PubChem CID122331531
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC Name(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCC1SCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNOS/c1-8-13(5-6-15-8)11(14)9-3-2-4-10(12)7-9/h2-4,7-8H,5-6H2,1H3
InChIKeyUURUZGHQJGJMMQ-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331719
(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 815506
(3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331652
(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 122331774
(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331515
(3-chlorophenyl)-[(2S)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7398635
(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7249265
(4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331900
(3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
CID 95974609
methyl 2-[(3S)-4-(3-chlorobenzoyl)thiomorpholin-3-yl]acetate
CID 96508157
(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone
CID 122331716
[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone (CID 122331531) is (3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone is CC1SCCN1C(=O)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is UURUZGHQJGJMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS/c1-8-13(5-6-15-8)11(14)9-3-2-4-10(12)7-9/h2-4,7-8H,5-6H2,1H3.
What are the key properties of (3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 241.74 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122331531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).