2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine

C13H14N4S — CID 82192567

IUPAC2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2nc3c(C)c(C)ccc3s2)n1
InChIInChI=1S/C13H14N4S/c1-7-4-5-10-12(9(7)3)15-13(18-10)17-11(14)6-8(2)16-17/h4-6H,14H2,1-3H3
InChIKeyADKLYJKRYXBFIF-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.99
Rot. Bonds1

About 2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine

2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine (PubChem CID 82192567) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine
PubChem CID82192567
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2nc3c(C)c(C)ccc3s2)n1
InChIInChI=1S/C13H14N4S/c1-7-4-5-10-12(9(7)3)15-13(18-10)17-11(14)6-8(2)16-17/h4-6H,14H2,1-3H3
InChIKeyADKLYJKRYXBFIF-UHFFFAOYSA-N
XLogP2.99
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine (CID 82192567) is 2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine is Cc1cc(N)n(-c2nc3c(C)c(C)ccc3s2)n1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine?
The InChIKey is ADKLYJKRYXBFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-7-4-5-10-12(9(7)3)15-13(18-10)17-11(14)6-8(2)16-17/h4-6H,14H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine?
2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine has a molecular weight of 258.35 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 82192567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).