(2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine

C18H27N3S — CID 164752974

IUPAC(2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine
SMILESCC1CCC(c2ccc3sc(C[C@@H](C)N(C)C)nc3c2)NC1
InChIInChI=1S/C18H27N3S/c1-12-5-7-15(19-11-12)14-6-8-17-16(10-14)20-18(22-17)9-13(2)21(3)4/h6,8,10,12-13,15,19H,5,7,9,11H2,1-4H3/t12?,13-,15?/m1/s1
InChIKeyYZRJWBHZUBKRAC-JVWICGRDSA-N
MW317.50 g/mol
LogP3.85
Rot. Bonds4

About (2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine

(2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine (PubChem CID 164752974) has the molecular formula C18H27N3S and a molecular weight of 317.50 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine
PubChem CID164752974
Molecular FormulaC18H27N3S
Molecular Weight317.50 g/mol
Exact Mass317.19
IUPAC Name(2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine
SMILESCC1CCC(c2ccc3sc(C[C@@H](C)N(C)C)nc3c2)NC1
InChIInChI=1S/C18H27N3S/c1-12-5-7-15(19-11-12)14-6-8-17-16(10-14)20-18(22-17)9-13(2)21(3)4/h6,8,10,12-13,15,19H,5,7,9,11H2,1-4H3/t12?,13-,15?/m1/s1
InChIKeyYZRJWBHZUBKRAC-JVWICGRDSA-N
XLogP3.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-yl]ethanamine
CID 164751318
2-(2-methoxyethyl)-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole
CID 164753062
5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine
CID 164750164
2-(4-fluoro-1-methylpiperidin-4-yl)-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole
CID 164753774
5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
CID 164750446
2-methyl-6-(5-methylpiperidin-2-yl)indazole
CID 171618705
3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline
CID 169113739
2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole
CID 175627696
tert-butyl 4-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 169114844
4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol
CID 164753784
2-ethyl-6-pyrrolidin-2-yl-1,3-benzothiazole
CID 84696097
4-[5-[(2R,5S)-1,5-dimethylpiperidin-2-yl]-1,3-benzothiazol-2-yl]-N,N-dimethylbutan-1-amine
CID 177204990

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine?
The IUPAC name of (2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine (CID 164752974) is (2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine.
What is the SMILES notation for (2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine?
The canonical SMILES for (2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine is CC1CCC(c2ccc3sc(C[C@@H](C)N(C)C)nc3c2)NC1.
What is the InChIKey of (2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine?
The InChIKey is YZRJWBHZUBKRAC-JVWICGRDSA-N. The full InChI is InChI=1S/C18H27N3S/c1-12-5-7-15(19-11-12)14-6-8-17-16(10-14)20-18(22-17)9-13(2)21(3)4/h6,8,10,12-13,15,19H,5,7,9,11H2,1-4H3/t12?,13-,15?/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine?
(2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine has a molecular weight of 317.50 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine is sourced from PubChem (CID 164752974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).