1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine

C16H21N5S — CID 126917500

IUPAC1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
SMILESCc1ncc(CN(C)C2CN(c3ccc(C4CC4)nn3)C2)s1
InChIInChI=1S/C16H21N5S/c1-11-17-7-14(22-11)10-20(2)13-8-21(9-13)16-6-5-15(18-19-16)12-3-4-12/h5-7,12-13H,3-4,8-10H2,1-2H3
InChIKeyCTNYMXLXPIGRKW-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.44
Rot. Bonds5

About 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine

1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine (PubChem CID 126917500) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
PubChem CID126917500
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
SMILESCc1ncc(CN(C)C2CN(c3ccc(C4CC4)nn3)C2)s1
InChIInChI=1S/C16H21N5S/c1-11-17-7-14(22-11)10-20(2)13-8-21(9-13)16-6-5-15(18-19-16)12-3-4-12/h5-7,12-13H,3-4,8-10H2,1-2H3
InChIKeyCTNYMXLXPIGRKW-UHFFFAOYSA-N
XLogP2.44
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine with MolForge

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Related Compounds

1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
CID 126921858
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 126917480
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-(1,2-thiazol-4-ylmethyl)azetidin-3-amine
CID 126917524
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine
CID 126917379
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]azetidin-3-amine
CID 126917504
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine
CID 126917642
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)azetidin-3-amine
CID 126917510
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-(2-morpholin-4-ylethyl)azetidin-3-amine
CID 126917365
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920630
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine
CID 126917536
1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine
CID 126917570
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine
CID 126917482

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine (CID 126917500) is 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine is Cc1ncc(CN(C)C2CN(c3ccc(C4CC4)nn3)C2)s1.
What is the InChIKey of 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine?
The InChIKey is CTNYMXLXPIGRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-11-17-7-14(22-11)10-20(2)13-8-21(9-13)16-6-5-15(18-19-16)12-3-4-12/h5-7,12-13H,3-4,8-10H2,1-2H3.
What are the key properties of 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine?
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine has a molecular weight of 315.45 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 126917500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).