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

C20H26N4OS — CID 164874914

IUPACN-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide
SMILESCN1CC2CCC(C1)N2c1nc2cc(C(=O)NC3CCCC3)ccc2s1
InChIInChI=1S/C20H26N4OS/c1-23-11-15-7-8-16(12-23)24(15)20-22-17-10-13(6-9-18(17)26-20)19(25)21-14-4-2-3-5-14/h6,9-10,14-16H,2-5,7-8,11-12H2,1H3,(H,21,25)
InChIKeyVLVXEKSYTLHVBK-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.25
Rot. Bonds3

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

N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide (PubChem CID 164874914) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide
PubChem CID164874914
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC NameN-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide
SMILESCN1CC2CCC(C1)N2c1nc2cc(C(=O)NC3CCCC3)ccc2s1
InChIInChI=1S/C20H26N4OS/c1-23-11-15-7-8-16(12-23)24(15)20-22-17-10-13(6-9-18(17)26-20)19(25)21-14-4-2-3-5-14/h6,9-10,14-16H,2-5,7-8,11-12H2,1H3,(H,21,25)
InChIKeyVLVXEKSYTLHVBK-UHFFFAOYSA-N
XLogP3.25
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide
CID 164874882
2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide
CID 100786731
2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-(4,4-difluorocyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 164875070
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide
CID 142009418
N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164875002
tert-butyl 8-[4-bromo-6-(cyclopentylcarbamoyl)-1,3-benzothiazol-2-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 164874988
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765952
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997837
2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-(2-propan-2-yloxyethyl)-1,3-benzothiazole-6-carboxamide
CID 164875171

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide (CID 164874914) is N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide is CN1CC2CCC(C1)N2c1nc2cc(C(=O)NC3CCCC3)ccc2s1.
What is the InChIKey of N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide?
The InChIKey is VLVXEKSYTLHVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-23-11-15-7-8-16(12-23)24(15)20-22-17-10-13(6-9-18(17)26-20)19(25)21-14-4-2-3-5-14/h6,9-10,14-16H,2-5,7-8,11-12H2,1H3,(H,21,25).
What are the key properties of N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide?
N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 164874914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).