2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine

C14H14N4S — CID 79819181

IUPAC2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine
SMILESCNC(Cc1nc2ccccc2s1)c1ncccn1
InChIInChI=1S/C14H14N4S/c1-15-11(14-16-7-4-8-17-14)9-13-18-10-5-2-3-6-12(10)19-13/h2-8,11,15H,9H2,1H3
InChIKeyBCWQPANVIJYLCM-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.59
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine

2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine (PubChem CID 79819181) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine
PubChem CID79819181
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine
SMILESCNC(Cc1nc2ccccc2s1)c1ncccn1
InChIInChI=1S/C14H14N4S/c1-15-11(14-16-7-4-8-17-14)9-13-18-10-5-2-3-6-12(10)19-13/h2-8,11,15H,9H2,1H3
InChIKeyBCWQPANVIJYLCM-UHFFFAOYSA-N
XLogP2.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 79818452
2-(1,3-benzothiazol-2-yl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107976569
1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 79818939
[2-(1,3-benzothiazol-2-yl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209241
2-(1,3-benzothiazol-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 80537919
[2-(1,3-benzothiazol-2-yl)-1-pyridin-2-ylethyl]hydrazine
CID 105195863
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 102804188
2-(1,3-benzothiazol-2-yl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 82871636
2-[2-(pyrimidin-2-ylmethyl)hexyl]-1,3-benzothiazole
CID 57032536
N-methyl-2-phenyl-1-pyrimidin-2-ylethanamine
CID 60820448
1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 79819432

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine (CID 79819181) is 2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine is CNC(Cc1nc2ccccc2s1)c1ncccn1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine?
The InChIKey is BCWQPANVIJYLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-15-11(14-16-7-4-8-17-14)9-13-18-10-5-2-3-6-12(10)19-13/h2-8,11,15H,9H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine?
2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine has a molecular weight of 270.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 79819181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).