6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one

C20H24N4OS — CID 87947528

IUPAC6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(-c2sc(NC(C)(C)C)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C20H24N4OS/c1-13(2)24-16(25)12-11-15(23-24)18-17(14-9-7-6-8-10-14)21-19(26-18)22-20(3,4)5/h6-13H,1-5H3,(H,21,22)
InChIKeyKAVXSVWZCLREAG-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.83
Rot. Bonds4

About 6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one

6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one (PubChem CID 87947528) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one
PubChem CID87947528
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(-c2sc(NC(C)(C)C)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C20H24N4OS/c1-13(2)24-16(25)12-11-15(23-24)18-17(14-9-7-6-8-10-14)21-19(26-18)22-20(3,4)5/h6-13H,1-5H3,(H,21,22)
InChIKeyKAVXSVWZCLREAG-UHFFFAOYSA-N
XLogP4.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 87947563
N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 87947426
2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 87947482
2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 87947524
6-(6-bromo-5-nitroso-3-phenylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one
CID 87787330
6-(5-amino-6-iodo-3-phenylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one
CID 87787105
6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one
CID 69331882
6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one
CID 69331904
3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile
CID 69331459
[3-(2-amino-4-phenyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl] propanoate
CID 91496322
[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 175254870
6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one
CID 69331884

Frequently Asked Questions

What is the IUPAC name of 6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one (CID 87947528) is 6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(-c2sc(NC(C)(C)C)nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one?
The InChIKey is KAVXSVWZCLREAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-13(2)24-16(25)12-11-15(23-24)18-17(14-9-7-6-8-10-14)21-19(26-18)22-20(3,4)5/h6-13H,1-5H3,(H,21,22).
What are the key properties of 6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one?
6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one has a molecular weight of 368.51 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 87947528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).