N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide

C19H24N4OS — CID 164874882

IUPACN-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2sc(N3C4CCC3CNC4)nc2c1
InChIInChI=1S/C19H24N4OS/c24-18(21-13-3-1-2-4-13)12-5-8-17-16(9-12)22-19(25-17)23-14-6-7-15(23)11-20-10-14/h5,8-9,13-15,20H,1-4,6-7,10-11H2,(H,21,24)
InChIKeyAJWMXHHRNDCCNP-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.91
Rot. Bonds3

About N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide

N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide (PubChem CID 164874882) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide
PubChem CID164874882
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2sc(N3C4CCC3CNC4)nc2c1
InChIInChI=1S/C19H24N4OS/c24-18(21-13-3-1-2-4-13)12-5-8-17-16(9-12)22-19(25-17)23-14-6-7-15(23)11-20-10-14/h5,8-9,13-15,20H,1-4,6-7,10-11H2,(H,21,24)
InChIKeyAJWMXHHRNDCCNP-UHFFFAOYSA-N
XLogP2.91
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide
CID 164874914
2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-(4,4-difluorocyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 164875070
2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide
CID 100786731
2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-(2-propan-2-yloxyethyl)-1,3-benzothiazole-6-carboxamide
CID 164875171
N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride
CID 164875212
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
N-piperidin-3-yl-1-benzothiophene-5-carboxamide
CID 119426134
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
N-cycloheptylisoquinoline-6-carboxamide
CID 110485190

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide (CID 164874882) is N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide is O=C(NC1CCCC1)c1ccc2sc(N3C4CCC3CNC4)nc2c1.
What is the InChIKey of N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide?
The InChIKey is AJWMXHHRNDCCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-18(21-13-3-1-2-4-13)12-5-8-17-16(9-12)22-19(25-17)23-14-6-7-15(23)11-20-10-14/h5,8-9,13-15,20H,1-4,6-7,10-11H2,(H,21,24).
What are the key properties of N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide?
N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 164874882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).