1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide

C14H17N3OS — CID 115447324

IUPAC1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide
SMILESCc1ccc2nc(NC(=O)C3(CN)CCC3)sc2c1
InChIInChI=1S/C14H17N3OS/c1-9-3-4-10-11(7-9)19-13(16-10)17-12(18)14(8-15)5-2-6-14/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17,18)
InChIKeyOOKFXNNYHAFYAZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.67
Rot. Bonds3

About 1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide (PubChem CID 115447324) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide
PubChem CID115447324
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide
SMILESCc1ccc2nc(NC(=O)C3(CN)CCC3)sc2c1
InChIInChI=1S/C14H17N3OS/c1-9-3-4-10-11(7-9)19-13(16-10)17-12(18)14(8-15)5-2-6-14/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17,18)
InChIKeyOOKFXNNYHAFYAZ-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cycloheptane-1-carboxamide
CID 115443740
N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32618876
1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 115452221
(2S,5R)-5-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 120783044
1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide
CID 148937075
N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 63132685
1-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylurea
CID 47173430
(2S,5R)-5-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120783043
2-(aminomethyl)-4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pentanamide
CID 107470948
N-[6-(3,5-dimethylphenyl)-1,3-benzothiazol-2-yl]-1-methylcyclopropane-1-carboxamide
CID 174430959
(2S)-1-(3-aminopropanoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 134235951
(2S)-1-(3-aminopropanoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 134235943

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide (CID 115447324) is 1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide is Cc1ccc2nc(NC(=O)C3(CN)CCC3)sc2c1.
What is the InChIKey of 1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide?
The InChIKey is OOKFXNNYHAFYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-3-4-10-11(7-9)19-13(16-10)17-12(18)14(8-15)5-2-6-14/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17,18).
What are the key properties of 1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115447324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).