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

C11H22ClN3O2S — CID 120832672

IUPACN-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCC(=O)N1CSCC1C(=O)NCC(C)NC.Cl
InChIInChI=1S/C11H21N3O2S.ClH/c1-4-10(15)14-7-17-6-9(14)11(16)13-5-8(2)12-3;/h8-9,12H,4-7H2,1-3H3,(H,13,16);1H
InChIKeyCHJXOBYGFNDVNJ-UHFFFAOYSA-N
MW295.84 g/mol
LogP0.44
Rot. Bonds5

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

N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 120832672) has the molecular formula C11H22ClN3O2S and a molecular weight of 295.84 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID120832672
Molecular FormulaC11H22ClN3O2S
Molecular Weight295.84 g/mol
Exact Mass295.11
IUPAC NameN-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCC(=O)N1CSCC1C(=O)NCC(C)NC.Cl
InChIInChI=1S/C11H21N3O2S.ClH/c1-4-10(15)14-7-17-6-9(14)11(16)13-5-8(2)12-3;/h8-9,12H,4-7H2,1-3H3,(H,13,16);1H
InChIKeyCHJXOBYGFNDVNJ-UHFFFAOYSA-N
XLogP0.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 50.44
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
3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120826760
N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120508830
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 119225257
(4S)-N-[(2S)-2-methyl-2-[[(4R)-3-propanoyl-1,3-thiazolidine-4-carbonyl]amino]butyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 96535321
(2S)-3-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 119359474
N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 102555877
2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 119187544
N-(cyclopropylmethyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 60608947
cis-(1S,3R)-3-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675827
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119456046

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 120832672) is N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride is CCC(=O)N1CSCC1C(=O)NCC(C)NC.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is CHJXOBYGFNDVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S.ClH/c1-4-10(15)14-7-17-6-9(14)11(16)13-5-8(2)12-3;/h8-9,12H,4-7H2,1-3H3,(H,13,16);1H.
What are the key properties of N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 295.84 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120832672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).