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

C16H28ClN3O2S — CID 119458398

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCCCC(=O)N1CSCC1C(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C16H27N3O2S.ClH/c1-2-3-4-15(20)19-10-22-9-14(19)16(21)18-13-7-11-5-6-12(8-13)17-11;/h11-14,17H,2-10H2,1H3,(H,18,21);1H
InChIKeyUGKROWHCECRKRP-UHFFFAOYSA-N
MW361.94 g/mol
LogP1.90
Rot. Bonds5

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119458398) has the molecular formula C16H28ClN3O2S and a molecular weight of 361.94 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119458398
Molecular FormulaC16H28ClN3O2S
Molecular Weight361.94 g/mol
Exact Mass361.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCCCC(=O)N1CSCC1C(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C16H27N3O2S.ClH/c1-2-3-4-15(20)19-10-22-9-14(19)16(21)18-13-7-11-5-6-12(8-13)17-11;/h11-14,17H,2-10H2,1H3,(H,18,21);1H
InChIKeyUGKROWHCECRKRP-UHFFFAOYSA-N
XLogP1.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.94
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119458398) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride is CCCCC(=O)N1CSCC1C(=O)NC1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is UGKROWHCECRKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S.ClH/c1-2-3-4-15(20)19-10-22-9-14(19)16(21)18-13-7-11-5-6-12(8-13)17-11;/h11-14,17H,2-10H2,1H3,(H,18,21);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 361.94 g/mol, XLogP of 1.90, 5 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-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119458398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).