[3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone

C13H18N2OS — CID 122331719

IUPAC[3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCC1SCCN1C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C13H18N2OS/c1-10-15(7-8-17-10)13(16)11-5-4-6-12(9-11)14(2)3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyKSYRUGXSYIJTDI-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.29
Rot. Bonds2

About [3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone

[3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone (PubChem CID 122331719) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone
PubChem CID122331719
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name[3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCC1SCCN1C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C13H18N2OS/c1-10-15(7-8-17-10)13(16)11-5-4-6-12(9-11)14(2)3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyKSYRUGXSYIJTDI-UHFFFAOYSA-N
XLogP2.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331531
[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 82302377
(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
1-[3-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43329171
3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43329177
(2R)-1-[3-(dimethylamino)benzoyl]piperidine-2-carboxylic acid
CID 79034431
(2-methoxy-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331808
(4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331900
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone (CID 122331719) is [3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone is CC1SCCN1C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is KSYRUGXSYIJTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10-15(7-8-17-10)13(16)11-5-4-6-12(9-11)14(2)3/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone?
[3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 250.37 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122331719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).