3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride

C14H24ClN3O2S — CID 119534464

IUPAC3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
SMILESCc1sc(=O)n(CCC(=O)NCCC2CCNC2)c1C.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-10-11(2)20-14(19)17(10)8-5-13(18)16-7-4-12-3-6-15-9-12;/h12,15H,3-9H2,1-2H3,(H,16,18);1H
InChIKeyXWEIYZJXOVMVQN-UHFFFAOYSA-N
MW333.89 g/mol
LogP1.45
Rot. Bonds6

About 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride

3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride (PubChem CID 119534464) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
PubChem CID119534464
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
SMILESCc1sc(=O)n(CCC(=O)NCCC2CCNC2)c1C.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-10-11(2)20-14(19)17(10)8-5-13(18)16-7-4-12-3-6-15-9-12;/h12,15H,3-9H2,1-2H3,(H,16,18);1H
InChIKeyXWEIYZJXOVMVQN-UHFFFAOYSA-N
XLogP1.45
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride (CID 119534464) is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride is Cc1sc(=O)n(CCC(=O)NCCC2CCNC2)c1C.Cl.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The InChIKey is XWEIYZJXOVMVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.ClH/c1-10-11(2)20-14(19)17(10)8-5-13(18)16-7-4-12-3-6-15-9-12;/h12,15H,3-9H2,1-2H3,(H,16,18);1H.
What are the key properties of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride has a molecular weight of 333.89 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119534464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).