N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride

C13H18ClN3S — CID 71640920

IUPACN-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride
SMILESCN(c1nc2ccccc2s1)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C13H17N3S.ClH/c1-16(10-5-4-8-14-9-10)13-15-11-6-2-3-7-12(11)17-13;/h2-3,6-7,10,14H,4-5,8-9H2,1H3;1H/t10-;/m1./s1
InChIKeyISDPDVQANZBULQ-HNCPQSOCSA-N
MW283.83 g/mol
LogP2.91
Rot. Bonds2

About N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride

N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride (PubChem CID 71640920) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride
PubChem CID71640920
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC NameN-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride
SMILESCN(c1nc2ccccc2s1)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C13H17N3S.ClH/c1-16(10-5-4-8-14-9-10)13-15-11-6-2-3-7-12(11)17-13;/h2-3,6-7,10,14H,4-5,8-9H2,1H3;1H/t10-;/m1./s1
InChIKeyISDPDVQANZBULQ-HNCPQSOCSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 14576069
4-N-(1,3-benzothiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79116231
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 71642311
N-methyl-N-piperidin-3-ylquinolin-2-amine
CID 63642355
3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71643020
N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine
CID 66182631
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
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
3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71643025
2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642503
N-methyl-5-nitro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
CID 71641409

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride?
The IUPAC name of N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride (CID 71640920) is N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride?
The canonical SMILES for N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride is CN(c1nc2ccccc2s1)[C@@H]1CCCNC1.Cl.
What is the InChIKey of N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride?
The InChIKey is ISDPDVQANZBULQ-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H17N3S.ClH/c1-16(10-5-4-8-14-9-10)13-15-11-6-2-3-7-12(11)17-13;/h2-3,6-7,10,14H,4-5,8-9H2,1H3;1H/t10-;/m1./s1.
What are the key properties of N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride?
N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride has a molecular weight of 283.83 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride is sourced from PubChem (CID 71640920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).