(3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine

C14H19N3S — CID 120845998

IUPAC(3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
SMILESCc1nc2ccc(CN3CCC[C@@H](N)C3)cc2s1
InChIInChI=1S/C14H19N3S/c1-10-16-13-5-4-11(7-14(13)18-10)8-17-6-2-3-12(15)9-17/h4-5,7,12H,2-3,6,8-9,15H2,1H3/t12-/m1/s1
InChIKeyWODDZWHCPNEUCX-GFCCVEGCSA-N
MW261.39 g/mol
LogP2.53
Rot. Bonds2

About (3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine

(3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine (PubChem CID 120845998) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is (3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
PubChem CID120845998
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name(3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
SMILESCc1nc2ccc(CN3CCC[C@@H](N)C3)cc2s1
InChIInChI=1S/C14H19N3S/c1-10-16-13-5-4-11(7-14(13)18-10)8-17-6-2-3-12(15)9-17/h4-5,7,12H,2-3,6,8-9,15H2,1H3/t12-/m1/s1
InChIKeyWODDZWHCPNEUCX-GFCCVEGCSA-N
XLogP2.53
TPSA42.15 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836368
N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
CID 120838011
4-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120908997
N-(2-aminoethyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidine-3-carboxamide
CID 120837331
2-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
CID 120844245
2-methyl-6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole
CID 120845855
(3S,4R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846823
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844631
(3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine
CID 120845980
5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-benzothiazole
CID 135135234
(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine
CID 99717486

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine (CID 120845998) is (3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine is Cc1nc2ccc(CN3CCC[C@@H](N)C3)cc2s1.
What is the InChIKey of (3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine?
The InChIKey is WODDZWHCPNEUCX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-16-13-5-4-11(7-14(13)18-10)8-17-6-2-3-12(15)9-17/h4-5,7,12H,2-3,6,8-9,15H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine?
(3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine has a molecular weight of 261.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 120845998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).