3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C13H26ClN3O2S — CID 120826760

IUPAC3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1CSCN1C(=O)C(C)(C)C.Cl
InChIInChI=1S/C13H25N3O2S.ClH/c1-9(14-5)6-15-11(17)10-7-19-8-16(10)12(18)13(2,3)4;/h9-10,14H,6-8H2,1-5H3,(H,15,17);1H
InChIKeyQVCDFLMOTPFPNF-UHFFFAOYSA-N
MW323.89 g/mol
LogP1.08
Rot. Bonds4

About 3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 120826760) has the molecular formula C13H26ClN3O2S and a molecular weight of 323.89 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID120826760
Molecular FormulaC13H26ClN3O2S
Molecular Weight323.89 g/mol
Exact Mass323.14
IUPAC Name3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1CSCN1C(=O)C(C)(C)C.Cl
InChIInChI=1S/C13H25N3O2S.ClH/c1-9(14-5)6-15-11(17)10-7-19-8-16(10)12(18)13(2,3)4;/h9-10,14H,6-8H2,1-5H3,(H,15,17);1H
InChIKeyQVCDFLMOTPFPNF-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831919
N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120832672
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
(4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95309616
(4S)-N-[3-(dimethylamino)-3-oxopropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95273657
(4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95383466
(4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 95274262
(4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95330439
(4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 95330465
3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237397
2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one
CID 120867809
3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120575291

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 120826760) is 3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CNC(C)CNC(=O)C1CSCN1C(=O)C(C)(C)C.Cl.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is QVCDFLMOTPFPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S.ClH/c1-9(14-5)6-15-11(17)10-7-19-8-16(10)12(18)13(2,3)4;/h9-10,14H,6-8H2,1-5H3,(H,15,17);1H.
What are the key properties of 3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 323.89 g/mol, XLogP of 1.08, 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-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120826760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).