N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine

C15H12N6S — CID 156845512

IUPACN-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine
SMILESCNc1ccc(-c2ccc(-c3cn[nH]c3)c3ncsc23)nn1
InChIInChI=1S/C15H12N6S/c1-16-13-5-4-12(20-21-13)11-3-2-10(9-6-18-19-7-9)14-15(11)22-8-17-14/h2-8H,1H3,(H,16,21)(H,18,19)
InChIKeyRYUFUTNCSSELCQ-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.19
Rot. Bonds3

About N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine

N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine (PubChem CID 156845512) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine
PubChem CID156845512
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC NameN-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine
SMILESCNc1ccc(-c2ccc(-c3cn[nH]c3)c3ncsc23)nn1
InChIInChI=1S/C15H12N6S/c1-16-13-5-4-12(20-21-13)11-3-2-10(9-6-18-19-7-9)14-15(11)22-8-17-14/h2-8H,1H3,(H,16,21)(H,18,19)
InChIKeyRYUFUTNCSSELCQ-UHFFFAOYSA-N
XLogP3.19
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine?
The IUPAC name of N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine (CID 156845512) is N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine?
The canonical SMILES for N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine is CNc1ccc(-c2ccc(-c3cn[nH]c3)c3ncsc23)nn1.
What is the InChIKey of N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine?
The InChIKey is RYUFUTNCSSELCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c1-16-13-5-4-12(20-21-13)11-3-2-10(9-6-18-19-7-9)14-15(11)22-8-17-14/h2-8H,1H3,(H,16,21)(H,18,19).
What are the key properties of N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine?
N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine has a molecular weight of 308.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine is sourced from PubChem (CID 156845512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).