N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine

C17H25N5S — CID 126917974

IUPACN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CN(c3ccc(C(C)(C)C)nn3)C2)sc1C
InChIInChI=1S/C17H25N5S/c1-11-12(2)23-16(19-11)18-8-13-9-22(10-13)15-7-6-14(20-21-15)17(3,4)5/h6-7,13H,8-10H2,1-5H3,(H,18,19)
InChIKeyZEPDQUALTZGPBP-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.40
Rot. Bonds4

About N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 126917974) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID126917974
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CN(c3ccc(C(C)(C)C)nn3)C2)sc1C
InChIInChI=1S/C17H25N5S/c1-11-12(2)23-16(19-11)18-8-13-9-22(10-13)15-7-6-14(20-21-15)17(3,4)5/h6-7,13H,8-10H2,1-5H3,(H,18,19)
InChIKeyZEPDQUALTZGPBP-UHFFFAOYSA-N
XLogP3.40
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 126917974) is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NCC2CN(c3ccc(C(C)(C)C)nn3)C2)sc1C.
What is the InChIKey of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is ZEPDQUALTZGPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S/c1-11-12(2)23-16(19-11)18-8-13-9-22(10-13)15-7-6-14(20-21-15)17(3,4)5/h6-7,13H,8-10H2,1-5H3,(H,18,19).
What are the key properties of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 331.49 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126917974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).