N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride

C12H16ClN3S — CID 71641425

IUPACN-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride
SMILESCN(c1nsc2ccccc12)C1CCNC1.Cl
InChIInChI=1S/C12H15N3S.ClH/c1-15(9-6-7-13-8-9)12-10-4-2-3-5-11(10)16-14-12;/h2-5,9,13H,6-8H2,1H3;1H
InChIKeyNESLBOBIMCWNLJ-UHFFFAOYSA-N
MW269.80 g/mol
LogP2.52
Rot. Bonds2

About N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride

N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride (PubChem CID 71641425) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride
PubChem CID71641425
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC NameN-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride
SMILESCN(c1nsc2ccccc12)C1CCNC1.Cl
InChIInChI=1S/C12H15N3S.ClH/c1-15(9-6-7-13-8-9)12-10-4-2-3-5-11(10)16-14-12;/h2-5,9,13H,6-8H2,1H3;1H
InChIKeyNESLBOBIMCWNLJ-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,2-benzothiazol-3-amine;hydrochloride
CID 71641030
N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,2-benzothiazol-3-amine
CID 97164638
N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine
CID 97164498
N,3-dimethyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 55205906
N-methyl-N-piperidin-3-ylquinazolin-4-amine
CID 55249323
2-N,3-N-dimethyl-3-N-[(3R)-pyrrolidin-3-yl]quinoxaline-2,3-diamine;hydrochloride
CID 71642500
N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641013
2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine
CID 71642505
N,5,6-trimethyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 83833515
N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine
CID 115118778
N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride
CID 71640920
3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 71639635

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride (CID 71641425) is N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride is CN(c1nsc2ccccc12)C1CCNC1.Cl.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride?
The InChIKey is NESLBOBIMCWNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S.ClH/c1-15(9-6-7-13-8-9)12-10-4-2-3-5-11(10)16-14-12;/h2-5,9,13H,6-8H2,1H3;1H.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride?
N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride is sourced from PubChem (CID 71641425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).