N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine

C14H19N3S — CID 97164498

IUPACN-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine
SMILESCN(C[C@H]1CCCNC1)c1nsc2ccccc12
InChIInChI=1S/C14H19N3S/c1-17(10-11-5-4-8-15-9-11)14-12-6-2-3-7-13(12)18-16-14/h2-3,6-7,11,15H,4-5,8-10H2,1H3/t11-/m0/s1
InChIKeyCHTSAOWWNSCYLA-NSHDSACASA-N
MW261.39 g/mol
LogP2.73
Rot. Bonds3

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

N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine (PubChem CID 97164498) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine
PubChem CID97164498
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine
SMILESCN(C[C@H]1CCCNC1)c1nsc2ccccc12
InChIInChI=1S/C14H19N3S/c1-17(10-11-5-4-8-15-9-11)14-12-6-2-3-7-13(12)18-16-14/h2-3,6-7,11,15H,4-5,8-10H2,1H3/t11-/m0/s1
InChIKeyCHTSAOWWNSCYLA-NSHDSACASA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,2-benzothiazol-3-amine
CID 97164638
N-[[(3R)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine
CID 97178374
N-(piperidin-3-ylmethyl)-1,2-benzothiazol-3-amine
CID 71636815
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride
CID 71641425
N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine
CID 115209574
N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 97164455
3-[methyl(piperidin-3-ylmethyl)amino]-2H-isoquinolin-1-one
CID 106642943
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 71642311
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71642119
3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole
CID 71637350
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine?
The IUPAC name of N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine (CID 97164498) is N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine?
The canonical SMILES for N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine is CN(C[C@H]1CCCNC1)c1nsc2ccccc12.
What is the InChIKey of N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine?
The InChIKey is CHTSAOWWNSCYLA-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3S/c1-17(10-11-5-4-8-15-9-11)14-12-6-2-3-7-13(12)18-16-14/h2-3,6-7,11,15H,4-5,8-10H2,1H3/t11-/m0/s1.
What are the key properties of N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine?
N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine has a molecular weight of 261.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine is sourced from PubChem (CID 97164498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).