2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine

C15H18N4S — CID 102804188

IUPAC2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine
SMILESCNC(Cc1nc2ccccc2s1)c1cn(C)nc1C
InChIInChI=1S/C15H18N4S/c1-10-11(9-19(3)18-10)13(16-2)8-15-17-12-6-4-5-7-14(12)20-15/h4-7,9,13,16H,8H2,1-3H3
InChIKeyBBANSOAWLUNKGF-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.84
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine

2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine (PubChem CID 102804188) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine
PubChem CID102804188
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine
SMILESCNC(Cc1nc2ccccc2s1)c1cn(C)nc1C
InChIInChI=1S/C15H18N4S/c1-10-11(9-19(3)18-10)13(16-2)8-15-17-12-6-4-5-7-14(12)20-15/h4-7,9,13,16H,8H2,1-3H3
InChIKeyBBANSOAWLUNKGF-UHFFFAOYSA-N
XLogP2.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65192059
2-(1,3-benzothiazol-2-yl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 82871636
2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 79819181
2-(1,3-benzothiazol-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 80537919
[2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105325079
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine
CID 102803941
2-(1,3-benzothiazol-2-yl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107976569
2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 79818452
1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine
CID 102804370
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
1-(1,3-benzothiazol-2-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 115990314
3-(1,3-benzothiazol-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 104631907

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine (CID 102804188) is 2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine is CNC(Cc1nc2ccccc2s1)c1cn(C)nc1C.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is BBANSOAWLUNKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-10-11(9-19(3)18-10)13(16-2)8-15-17-12-6-4-5-7-14(12)20-15/h4-7,9,13,16H,8H2,1-3H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine?
2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 286.40 g/mol, XLogP of 2.84, 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)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 102804188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).