[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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Related Compounds

7-[6-(1,7-diazaspiro[3.4]octan-1-yl)pyridazin-3-yl]-4-(1H-pyrazol-4-yl)-1,3-benzothiazole
CID 156845393
7-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-4-(1H-pyrazol-4-yl)-1,3-benzothiazole
CID 156845418
4-(1H-pyrazol-4-yl)-7-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1,3-benzothiazole
CID 167502570
N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 156845528
N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine
CID 156845512
N-methyl-N-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 165117224
N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine
CID 167502395
N-[[(3R)-3-aminocycloheptyl]methyl]-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine
CID 156845648
2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride
CID 168830199
3-methyl-6-[4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1,3-benzothiazol-7-yl]pyrimidin-4-one
CID 168725119
N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 156845394
1-methyl-5-[4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1,3-benzothiazol-7-yl]pyridin-2-one
CID 156845398

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).