1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine

C15H22N4S — CID 106895435

IUPAC1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NCc1cccnn1
InChIInChI=1S/C15H22N4S/c1-10(16-9-12-7-6-8-17-19-12)13-11(2)18-14(20-13)15(3,4)5/h6-8,10,16H,9H2,1-5H3
InChIKeyUUIZROHNLWEWLV-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.39
Rot. Bonds4

About 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine

1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine (PubChem CID 106895435) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine
PubChem CID106895435
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NCc1cccnn1
InChIInChI=1S/C15H22N4S/c1-10(16-9-12-7-6-8-17-19-12)13-11(2)18-14(20-13)15(3,4)5/h6-8,10,16H,9H2,1-5H3
InChIKeyUUIZROHNLWEWLV-UHFFFAOYSA-N
XLogP3.39
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43768791
1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895134
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine
CID 79041724
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756145
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014973
1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895025
4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide
CID 60865573
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115713038
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634562
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
CID 43767328
2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one
CID 136827793

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine (CID 106895435) is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine is Cc1nc(C(C)(C)C)sc1C(C)NCc1cccnn1.
What is the InChIKey of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The InChIKey is UUIZROHNLWEWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-10(16-9-12-7-6-8-17-19-12)13-11(2)18-14(20-13)15(3,4)5/h6-8,10,16H,9H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine has a molecular weight of 290.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106895435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).