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

C8H14N2OS — CID 61388134

IUPAC4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one
SMILESCNCCCn1c(C)csc1=O
InChIInChI=1S/C8H14N2OS/c1-7-6-12-8(11)10(7)5-3-4-9-2/h6,9H,3-5H2,1-2H3
InChIKeyPPNQHXGAMBOGJZ-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.83
Rot. Bonds4

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

4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one (PubChem CID 61388134) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one
PubChem CID61388134
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one
SMILESCNCCCn1c(C)csc1=O
InChIInChI=1S/C8H14N2OS/c1-7-6-12-8(11)10(7)5-3-4-9-2/h6,9H,3-5H2,1-2H3
InChIKeyPPNQHXGAMBOGJZ-UHFFFAOYSA-N
XLogP0.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Aminoethyl)-4-methyl-1,3-thiazol-2-one
CID 43213975
4-[2-(ethylamino)ethyl]-3H-1,3-thiazol-2-one
CID 67569728
N-(2,3-dihydro-1,3-thiazol-4-ylmethyl)-N-methylpropanamide
CID 129309953
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylpropanamide
CID 29198709
2-Methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide
CID 43287092
3-(4-Methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide
CID 43287100
4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanethioamide
CID 43287103
3-(3-Aminopropyl)-4-methyl-1,3-thiazol-2-one
CID 43287109
N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 47116325
4-Methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one
CID 60671012
3-[2-(Tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60671313
3-[2-(Cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60671965

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one (CID 61388134) is 4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one is CNCCCn1c(C)csc1=O.
What is the InChIKey of 4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one?
The InChIKey is PPNQHXGAMBOGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-7-6-12-8(11)10(7)5-3-4-9-2/h6,9H,3-5H2,1-2H3.
What are the key properties of 4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one?
4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one has a molecular weight of 186.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one is sourced from PubChem (CID 61388134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).