N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide

C15H19N3OS — CID 142009418

IUPACN-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide
SMILESCN1CCCC(NC(=O)c2ccc3scnc3c2)CC1
InChIInChI=1S/C15H19N3OS/c1-18-7-2-3-12(6-8-18)17-15(19)11-4-5-14-13(9-11)16-10-20-14/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyFGRGQOKBQSCDHH-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.51
Rot. Bonds2

About N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide

N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide (PubChem CID 142009418) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide
PubChem CID142009418
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide
SMILESCN1CCCC(NC(=O)c2ccc3scnc3c2)CC1
InChIInChI=1S/C15H19N3OS/c1-18-7-2-3-12(6-8-18)17-15(19)11-4-5-14-13(9-11)16-10-20-14/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyFGRGQOKBQSCDHH-UHFFFAOYSA-N
XLogP2.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride
CID 66636410
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide
CID 56754635
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 18337213
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119477630
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
CID 89070568

Frequently Asked Questions

What is the IUPAC name of N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide (CID 142009418) is N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide is CN1CCCC(NC(=O)c2ccc3scnc3c2)CC1.
What is the InChIKey of N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide?
The InChIKey is FGRGQOKBQSCDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18-7-2-3-12(6-8-18)17-15(19)11-4-5-14-13(9-11)16-10-20-14/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,17,19).
What are the key properties of N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide?
N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 142009418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).