6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine

C11H10N4S — CID 39733146

IUPAC6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESCn1cc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C11H10N4S/c1-15-6-8(5-13-15)7-2-3-9-10(4-7)16-11(12)14-9/h2-6H,1H3,(H2,12,14)
InChIKeyRPSUOVPWIGAZEJ-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.28
Rot. Bonds1

About 6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine

6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 39733146) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine
PubChem CID39733146
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESCn1cc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C11H10N4S/c1-15-6-8(5-13-15)7-2-3-9-10(4-7)16-11(12)14-9/h2-6H,1H3,(H2,12,14)
InChIKeyRPSUOVPWIGAZEJ-UHFFFAOYSA-N
XLogP2.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine (CID 39733146) is 6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine is Cn1cc(-c2ccc3nc(N)sc3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is RPSUOVPWIGAZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-15-6-8(5-13-15)7-2-3-9-10(4-7)16-11(12)14-9/h2-6H,1H3,(H2,12,14).
What are the key properties of 6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 230.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 39733146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).