2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine

C13H14N4S — CID 155912615

IUPAC2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine
SMILESCc1nc2cc(-c3cnn(CCN)c3)ccc2s1
InChIInChI=1S/C13H14N4S/c1-9-16-12-6-10(2-3-13(12)18-9)11-7-15-17(8-11)5-4-14/h2-3,6-8H,4-5,14H2,1H3
InChIKeyKFQMMKXMIQJBJZ-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.43
Rot. Bonds3

About 2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine

2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine (PubChem CID 155912615) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine
PubChem CID155912615
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine
SMILESCc1nc2cc(-c3cnn(CCN)c3)ccc2s1
InChIInChI=1S/C13H14N4S/c1-9-16-12-6-10(2-3-13(12)18-9)11-7-15-17(8-11)5-4-14/h2-3,6-8H,4-5,14H2,1H3
InChIKeyKFQMMKXMIQJBJZ-UHFFFAOYSA-N
XLogP2.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyl-1,3-benzothiazol-5-yl)aniline
CID 59283005
2-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,3-benzothiazole
CID 155914050
5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155505909
4-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 155495503
2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine
CID 82113702
2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole
CID 155914940
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
4-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155910195
2-methyl-5-pyridin-3-yl-1,3-benzothiazole
CID 24879647
1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol
CID 155495690
6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine
CID 155910091
2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride
CID 164608290

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine (CID 155912615) is 2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine is Cc1nc2cc(-c3cnn(CCN)c3)ccc2s1.
What is the InChIKey of 2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine?
The InChIKey is KFQMMKXMIQJBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-9-16-12-6-10(2-3-13(12)18-9)11-7-15-17(8-11)5-4-14/h2-3,6-8H,4-5,14H2,1H3.
What are the key properties of 2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine?
2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine has a molecular weight of 258.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 155912615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).