N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide

C16H23N3O2S — CID 42744376

IUPACN-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CSCC1C(=O)NCCN(C)C
InChIInChI=1S/C16H23N3O2S/c1-12-6-4-5-7-13(12)16(21)19-11-22-10-14(19)15(20)17-8-9-18(2)3/h4-7,14H,8-11H2,1-3H3,(H,17,20)
InChIKeyWFZGJHZWRJIRKV-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.19
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744376) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744376
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CSCC1C(=O)NCCN(C)C
InChIInChI=1S/C16H23N3O2S/c1-12-6-4-5-7-13(12)16(21)19-11-22-10-14(19)15(20)17-8-9-18(2)3/h4-7,14H,8-11H2,1-3H3,(H,17,20)
InChIKeyWFZGJHZWRJIRKV-UHFFFAOYSA-N
XLogP1.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 75554388
(4S)-N-(3,4-dimethylphenyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95158596
(4S)-3-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973635
(4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 95330657
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide
CID 51331976
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
(4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide
CID 95152799
(4R)-N-butyl-3-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 97226243
3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744624
(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 809655

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide (CID 42744376) is N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide is Cc1ccccc1C(=O)N1CSCC1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is WFZGJHZWRJIRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12-6-4-5-7-13(12)16(21)19-11-22-10-14(19)15(20)17-8-9-18(2)3/h4-7,14H,8-11H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).