4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one

C10H18N2OS — CID 61387939

IUPAC4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one
SMILESCCCNCCCn1c(C)csc1=O
InChIInChI=1S/C10H18N2OS/c1-3-5-11-6-4-7-12-9(2)8-14-10(12)13/h8,11H,3-7H2,1-2H3
InChIKeyIJGDNXJDADPYPV-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.61
Rot. Bonds6

About 4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one

4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one (PubChem CID 61387939) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one
PubChem CID61387939
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one
SMILESCCCNCCCn1c(C)csc1=O
InChIInChI=1S/C10H18N2OS/c1-3-5-11-6-4-7-12-9(2)8-14-10(12)13/h8,11H,3-7H2,1-2H3
InChIKeyIJGDNXJDADPYPV-UHFFFAOYSA-N
XLogP1.61
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.61
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

3-[3-(tert-butylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 61388131
3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one
CID 43509713
3-(6-chlorohexyl)-4-methyl-1,3-thiazol-2-one
CID 62228753
ethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate
CID 61344759
6-methyl-1-[4-(propylamino)butyl]pyridin-2-one
CID 62566200
1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione
CID 63811354
4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]butanoic acid
CID 119352737
2-[[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]methyl]pentanoic acid
CID 65219440
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
N-[(2R)-1-hydroxypropan-2-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 79027328
ethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one
CID 143217146
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103800672

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one (CID 61387939) is 4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one is CCCNCCCn1c(C)csc1=O.
What is the InChIKey of 4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one?
The InChIKey is IJGDNXJDADPYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-5-11-6-4-7-12-9(2)8-14-10(12)13/h8,11H,3-7H2,1-2H3.
What are the key properties of 4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one?
4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one has a molecular weight of 214.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one is sourced from PubChem (CID 61387939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).