N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide

C20H24N2OS — CID 46532413

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H24N2OS/c1-22(11-18-21-16-4-2-3-5-17(16)24-18)20(23)19-14-7-12-6-13(9-14)10-15(19)8-12/h2-5,12-15,19H,6-11H2,1H3
InChIKeyVVYJERSIRGGXAK-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.33
Rot. Bonds3

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

N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide (PubChem CID 46532413) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide
PubChem CID46532413
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H24N2OS/c1-22(11-18-21-16-4-2-3-5-17(16)24-18)20(23)19-14-7-12-6-13(9-14)10-15(19)8-12/h2-5,12-15,19H,6-11H2,1H3
InChIKeyVVYJERSIRGGXAK-UHFFFAOYSA-N
XLogP4.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
CID 103813341
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide
CID 63042696
(2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide;dihydrochloride
CID 119835338
2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64824365
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
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide
CID 18117670
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N-methylpropanamide
CID 43346972
2-(2-adamantylmethyl)-1,3-benzothiazole
CID 158581770
(3S)-1-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 9394280

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide (CID 46532413) is N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide is CN(Cc1nc2ccccc2s1)C(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide?
The InChIKey is VVYJERSIRGGXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-22(11-18-21-16-4-2-3-5-17(16)24-18)20(23)19-14-7-12-6-13(9-14)10-15(19)8-12/h2-5,12-15,19H,6-11H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide is sourced from PubChem (CID 46532413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).