1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine

C16H23N5S — CID 126917911

IUPAC1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCC(C)(C)c1ccc(N2CC(CNCc3cncs3)C2)nn1
InChIInChI=1S/C16H23N5S/c1-16(2,3)14-4-5-15(20-19-14)21-9-12(10-21)6-17-7-13-8-18-11-22-13/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyJADPLHYXNXTGPW-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.46
Rot. Bonds5

About 1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine

1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 126917911) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID126917911
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCC(C)(C)c1ccc(N2CC(CNCc3cncs3)C2)nn1
InChIInChI=1S/C16H23N5S/c1-16(2,3)14-4-5-15(20-19-14)21-9-12(10-21)6-17-7-13-8-18-11-22-13/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyJADPLHYXNXTGPW-UHFFFAOYSA-N
XLogP2.46
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 126917911) is 1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine is CC(C)(C)c1ccc(N2CC(CNCc3cncs3)C2)nn1.
What is the InChIKey of 1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is JADPLHYXNXTGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-16(2,3)14-4-5-15(20-19-14)21-9-12(10-21)6-17-7-13-8-18-11-22-13/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 317.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 126917911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).