4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one

C10H16N2OS — CID 63822332

IUPAC4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one
SMILESCC(=O)CCN(C)Cc1scnc1C
InChIInChI=1S/C10H16N2OS/c1-8(13)4-5-12(3)6-10-9(2)11-7-14-10/h7H,4-6H2,1-3H3
InChIKeyAZZNPFCAZTYZGW-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.86
Rot. Bonds5

About 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one

4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one (PubChem CID 63822332) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one.

Molecular Properties

Compound Name4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one
PubChem CID63822332
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one
SMILESCC(=O)CCN(C)Cc1scnc1C
InChIInChI=1S/C10H16N2OS/c1-8(13)4-5-12(3)6-10-9(2)11-7-14-10/h7H,4-6H2,1-3H3
InChIKeyAZZNPFCAZTYZGW-UHFFFAOYSA-N
XLogP1.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one?
The IUPAC name of 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one (CID 63822332) is 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one.
What is the SMILES notation for 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one?
The canonical SMILES for 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one is CC(=O)CCN(C)Cc1scnc1C.
What is the InChIKey of 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one?
The InChIKey is AZZNPFCAZTYZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(13)4-5-12(3)6-10-9(2)11-7-14-10/h7H,4-6H2,1-3H3.
What are the key properties of 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one?
4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one is sourced from PubChem (CID 63822332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).