1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one

C13H17N3OS2 — CID 116575717

IUPAC1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one
SMILESCC(C)(C)c1csc(CC(=O)Cc2csc(N)n2)n1
InChIInChI=1S/C13H17N3OS2/c1-13(2,3)10-7-18-11(16-10)5-9(17)4-8-6-19-12(14)15-8/h6-7H,4-5H2,1-3H3,(H2,14,15)
InChIKeyGRKMYPLURURPKR-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.83
Rot. Bonds4

About 1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one

1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one (PubChem CID 116575717) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one
PubChem CID116575717
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one
SMILESCC(C)(C)c1csc(CC(=O)Cc2csc(N)n2)n1
InChIInChI=1S/C13H17N3OS2/c1-13(2,3)10-7-18-11(16-10)5-9(17)4-8-6-19-12(14)15-8/h6-7H,4-5H2,1-3H3,(H2,14,15)
InChIKeyGRKMYPLURURPKR-UHFFFAOYSA-N
XLogP2.83
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one with MolForge

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Related Compounds

4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylpentan-2-one
CID 79820417
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylsulfanylbutan-2-one
CID 105118448
1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-one
CID 79954595
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)propan-2-one
CID 79827680
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-one
CID 105118447
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
1-(4-tert-butyl-1,3-thiazol-2-yl)decan-2-one
CID 115786938
1-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxypentan-2-one
CID 79820419
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propoxypropan-2-one
CID 79819641

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one (CID 116575717) is 1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one is CC(C)(C)c1csc(CC(=O)Cc2csc(N)n2)n1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is GRKMYPLURURPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-13(2,3)10-7-18-11(16-10)5-9(17)4-8-6-19-12(14)15-8/h6-7H,4-5H2,1-3H3,(H2,14,15).
What are the key properties of 1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one?
1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 295.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 116575717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).