5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one

C10H16N2OS — CID 116555711

IUPAC5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
SMILESCNCCCC(=O)Cc1nc(C)cs1
InChIInChI=1S/C10H16N2OS/c1-8-7-14-10(12-8)6-9(13)4-3-5-11-2/h7,11H,3-6H2,1-2H3
InChIKeyZFANOJZLZGRVEN-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.56
Rot. Bonds6

About 5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one

5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one (PubChem CID 116555711) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
PubChem CID116555711
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
SMILESCNCCCC(=O)Cc1nc(C)cs1
InChIInChI=1S/C10H16N2OS/c1-8-7-14-10(12-8)6-9(13)4-3-5-11-2/h7,11H,3-6H2,1-2H3
InChIKeyZFANOJZLZGRVEN-UHFFFAOYSA-N
XLogP1.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one
CID 116558009
5-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
CID 116555704
CID 131842856
CID 131842856
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119879007
1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one
CID 79567146
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116591347
methyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 61043385
N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484487

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one?
The IUPAC name of 5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one (CID 116555711) is 5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one.
What is the SMILES notation for 5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one?
The canonical SMILES for 5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one is CNCCCC(=O)Cc1nc(C)cs1.
What is the InChIKey of 5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one?
The InChIKey is ZFANOJZLZGRVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-7-14-10(12-8)6-9(13)4-3-5-11-2/h7,11H,3-6H2,1-2H3.
What are the key properties of 5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one?
5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one is sourced from PubChem (CID 116555711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).