[2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine

C19H19N7S — CID 167502809

IUPAC[2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine
SMILESCC1(CN)CCN1c1ccc(-c2ccc(-c3cn[nH]c3)c3ncsc23)nn1
InChIInChI=1S/C19H19N7S/c1-19(10-20)6-7-26(19)16-5-4-15(24-25-16)14-3-2-13(12-8-22-23-9-12)17-18(14)27-11-21-17/h2-5,8-9,11H,6-7,10,20H2,1H3,(H,22,23)
InChIKeyQFZFVXLGNZCMMQ-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.07
Rot. Bonds4

About [2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine

[2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine (PubChem CID 167502809) has the molecular formula C19H19N7S and a molecular weight of 377.48 g/mol. Its IUPAC name is [2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine
PubChem CID167502809
Molecular FormulaC19H19N7S
Molecular Weight377.48 g/mol
Exact Mass377.14
IUPAC Name[2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine
SMILESCC1(CN)CCN1c1ccc(-c2ccc(-c3cn[nH]c3)c3ncsc23)nn1
InChIInChI=1S/C19H19N7S/c1-19(10-20)6-7-26(19)16-5-4-15(24-25-16)14-3-2-13(12-8-22-23-9-12)17-18(14)27-11-21-17/h2-5,8-9,11H,6-7,10,20H2,1H3,(H,22,23)
InChIKeyQFZFVXLGNZCMMQ-UHFFFAOYSA-N
XLogP3.07
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine?
The IUPAC name of [2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine (CID 167502809) is [2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine.
What is the SMILES notation for [2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine?
The canonical SMILES for [2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine is CC1(CN)CCN1c1ccc(-c2ccc(-c3cn[nH]c3)c3ncsc23)nn1.
What is the InChIKey of [2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine?
The InChIKey is QFZFVXLGNZCMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7S/c1-19(10-20)6-7-26(19)16-5-4-15(24-25-16)14-3-2-13(12-8-22-23-9-12)17-18(14)27-11-21-17/h2-5,8-9,11H,6-7,10,20H2,1H3,(H,22,23).
What are the key properties of [2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine?
[2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine has a molecular weight of 377.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]azetidin-2-yl]methanamine is sourced from PubChem (CID 167502809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).