3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide

C16H21N3OS — CID 63042696

IUPAC3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C16H21N3OS/c1-19(16(20)11-5-4-6-12(17)9-11)10-15-18-13-7-2-3-8-14(13)21-15/h2-3,7-8,11-12H,4-6,9-10,17H2,1H3
InChIKeyAHEQERNKKAYIFD-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.77
Rot. Bonds3

About 3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide

3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 63042696) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide
PubChem CID63042696
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C16H21N3OS/c1-19(16(20)11-5-4-6-12(17)9-11)10-15-18-13-7-2-3-8-14(13)21-15/h2-3,7-8,11-12H,4-6,9-10,17H2,1H3
InChIKeyAHEQERNKKAYIFD-UHFFFAOYSA-N
XLogP2.77
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64824365
(3S)-1-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 9394280
(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
CID 103813341
(2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide;dihydrochloride
CID 119835338
N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide
CID 46532413
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide
CID 18117670
N-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 53498759
(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 94097425
(3S)-1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 8545686
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
1,3-benzothiazol-2-ylmethyl cyclobutanecarboxylate
CID 78760113

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide (CID 63042696) is 3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide is CN(Cc1nc2ccccc2s1)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is AHEQERNKKAYIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-19(16(20)11-5-4-6-12(17)9-11)10-15-18-13-7-2-3-8-14(13)21-15/h2-3,7-8,11-12H,4-6,9-10,17H2,1H3.
What are the key properties of 3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide?
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 63042696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).