4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one

C12H20N2OS — CID 77334983

IUPAC4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one
SMILESCC(C)NC(Cc1cscn1)C(=O)C(C)C
InChIInChI=1S/C12H20N2OS/c1-8(2)12(15)11(14-9(3)4)5-10-6-16-7-13-10/h6-9,11,14H,5H2,1-4H3
InChIKeyFTALMMIOFGWZJJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.28
Rot. Bonds6

About 4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one

4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one (PubChem CID 77334983) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one.

Molecular Properties

Compound Name4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one
PubChem CID77334983
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one
SMILESCC(C)NC(Cc1cscn1)C(=O)C(C)C
InChIInChI=1S/C12H20N2OS/c1-8(2)12(15)11(14-9(3)4)5-10-6-16-7-13-10/h6-9,11,14H,5H2,1-4H3
InChIKeyFTALMMIOFGWZJJ-UHFFFAOYSA-N
XLogP2.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one?
The IUPAC name of 4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one (CID 77334983) is 4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one.
What is the SMILES notation for 4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one?
The canonical SMILES for 4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one is CC(C)NC(Cc1cscn1)C(=O)C(C)C.
What is the InChIKey of 4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one?
The InChIKey is FTALMMIOFGWZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)12(15)11(14-9(3)4)5-10-6-16-7-13-10/h6-9,11,14H,5H2,1-4H3.
What are the key properties of 4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one?
4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one has a molecular weight of 240.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one is sourced from PubChem (CID 77334983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).