N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride

C14H24ClN3O2S — CID 119456046

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCC(=O)N1CSCC1C(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-2-13(18)17-8-20-7-12(17)14(19)16-11-5-9-3-4-10(6-11)15-9;/h9-12,15H,2-8H2,1H3,(H,16,19);1H
InChIKeyMWOAKPWWJGLQFW-UHFFFAOYSA-N
MW333.89 g/mol
LogP1.12
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119456046) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119456046
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCC(=O)N1CSCC1C(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-2-13(18)17-8-20-7-12(17)14(19)16-11-5-9-3-4-10(6-11)15-9;/h9-12,15H,2-8H2,1H3,(H,16,19);1H
InChIKeyMWOAKPWWJGLQFW-UHFFFAOYSA-N
XLogP1.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119458398
cis-(1S,3R)-3-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675827
N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120557816
4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229835
N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120508830
3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide
CID 47080816
2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 119225257
N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 102555877
(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
3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120575293
1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
CID 119622415

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119456046) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride is CCC(=O)N1CSCC1C(=O)NC1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is MWOAKPWWJGLQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.ClH/c1-2-13(18)17-8-20-7-12(17)14(19)16-11-5-9-3-4-10(6-11)15-9;/h9-12,15H,2-8H2,1H3,(H,16,19);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 333.89 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119456046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).