(2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine

C16H18N4S — CID 97087949

IUPAC(2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
SMILESC[C@H](Cc1nc2ccccc2s1)N(C)Cc1cnccn1
InChIInChI=1S/C16H18N4S/c1-12(20(2)11-13-10-17-7-8-18-13)9-16-19-14-5-3-4-6-15(14)21-16/h3-8,10,12H,9,11H2,1-2H3/t12-/m1/s1
InChIKeySHDCFOUVWUHWAL-GFCCVEGCSA-N
MW298.41 g/mol
LogP3.15
Rot. Bonds5

About (2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine

(2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine (PubChem CID 97087949) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is (2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
PubChem CID97087949
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name(2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
SMILESC[C@H](Cc1nc2ccccc2s1)N(C)Cc1cnccn1
InChIInChI=1S/C16H18N4S/c1-12(20(2)11-13-10-17-7-8-18-13)9-16-19-14-5-3-4-6-15(14)21-16/h3-8,10,12H,9,11H2,1-2H3/t12-/m1/s1
InChIKeySHDCFOUVWUHWAL-GFCCVEGCSA-N
XLogP3.15
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 71923974
N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 70659288
2-(2-phenylbutyl)-1,3-benzothiazole
CID 56999152
2-(1,3-benzothiazol-2-ylmethyl)-3-methylbutanoic acid
CID 79819156
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
CID 8803349
N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine
CID 33373467
1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 79818939
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
2-(2-chlorobutyl)-1,3-benzothiazole
CID 63202547
4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butan-2-ol
CID 113246457
3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine
CID 99934058
N-(1,3-benzothiazol-2-ylmethyl)-N-(2-bromoethyl)propan-2-amine
CID 104632043

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine?
The IUPAC name of (2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine (CID 97087949) is (2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine?
The canonical SMILES for (2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine is C[C@H](Cc1nc2ccccc2s1)N(C)Cc1cnccn1.
What is the InChIKey of (2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine?
The InChIKey is SHDCFOUVWUHWAL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N4S/c1-12(20(2)11-13-10-17-7-8-18-13)9-16-19-14-5-3-4-6-15(14)21-16/h3-8,10,12H,9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine?
(2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine has a molecular weight of 298.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 97087949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).