N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine

C14H19N3S — CID 14576069

IUPACN-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCC1CNCCC1N(C)c1nc2ccccc2s1
InChIInChI=1S/C14H19N3S/c1-10-9-15-8-7-12(10)17(2)14-16-11-5-3-4-6-13(11)18-14/h3-6,10,12,15H,7-9H2,1-2H3
InChIKeyGBOPVEJYVIEOKU-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.73
Rot. Bonds2

About N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine

N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 14576069) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine
PubChem CID14576069
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCC1CNCCC1N(C)c1nc2ccccc2s1
InChIInChI=1S/C14H19N3S/c1-10-9-15-8-7-12(10)17(2)14-16-11-5-3-4-6-13(11)18-14/h3-6,10,12,15H,7-9H2,1-2H3
InChIKeyGBOPVEJYVIEOKU-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-3-methoxypiperidin-4-yl]-N-methyl-1,3-benzothiazol-2-amine;oxalic acid
CID 67925671
N-[(3S,4R)-3-methoxypiperidin-4-yl]-N-methyl-1,3-benzothiazol-2-amine;oxalic acid
CID 14575286
N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride
CID 71640920
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 71642311
4-N-(1,3-benzothiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79116231
N-methyl-N-[(3R,4S)-3-methyl-1-(3-phenylprop-2-enyl)piperidin-4-yl]-1,3-benzothiazol-2-amine
CID 67925700
trans-(1S,2S)-N-(1,3-benzothiazol-2-yl)-N,2-dimethylcyclopropane-1-carboxamide
CID 34248200
N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine
CID 66182631
N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 133398444
2-pyrrolidin-3-ylsulfinyl-1,3-benzothiazole
CID 71646013
2-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]-1,3-benzothiazole
CID 97165838
2-[(3R)-pyrrolidin-3-yl]sulfanyl-1,3-benzothiazole
CID 71637241

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine (CID 14576069) is N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine is CC1CNCCC1N(C)c1nc2ccccc2s1.
What is the InChIKey of N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is GBOPVEJYVIEOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-9-15-8-7-12(10)17(2)14-16-11-5-3-4-6-13(11)18-14/h3-6,10,12,15H,7-9H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 14576069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).