3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide

C15H27N3O2S — CID 119535812

IUPAC3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CSCC1C(=O)NCCC1CCNC1
InChIInChI=1S/C15H27N3O2S/c1-15(2,3)14(20)18-10-21-9-12(18)13(19)17-7-5-11-4-6-16-8-11/h11-12,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyPKMWMGILPGILQA-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.05
Rot. Bonds4

About 3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide

3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 119535812) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID119535812
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CSCC1C(=O)NCCC1CCNC1
InChIInChI=1S/C15H27N3O2S/c1-15(2,3)14(20)18-10-21-9-12(18)13(19)17-7-5-11-4-6-16-8-11/h11-12,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyPKMWMGILPGILQA-UHFFFAOYSA-N
XLogP1.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119536892
3-(cyclopentanecarbonyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119556578
1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119535072
(4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95309616
1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119533681
2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534841
1-(adamantane-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119537044
3-(cyclopentanecarbonyl)-N-(piperidin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 119461517
N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193
5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide
CID 81331227
2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide
CID 65210340

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 119535812) is 3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide is CC(C)(C)C(=O)N1CSCC1C(=O)NCCC1CCNC1.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is PKMWMGILPGILQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-15(2,3)14(20)18-10-21-9-12(18)13(19)17-7-5-11-4-6-16-8-11/h11-12,16H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide?
3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119535812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).