4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine

C13H23N3OS — CID 79341219

IUPAC4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine
SMILESCCCNCC(C)=Cc1sc(N(C)C)nc1OC
InChIInChI=1S/C13H23N3OS/c1-6-7-14-9-10(2)8-11-12(17-5)15-13(18-11)16(3)4/h8,14H,6-7,9H2,1-5H3
InChIKeyFPTYBIYVKDCHEI-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.62
Rot. Bonds7

About 4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine

4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine (PubChem CID 79341219) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine
PubChem CID79341219
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine
SMILESCCCNCC(C)=Cc1sc(N(C)C)nc1OC
InChIInChI=1S/C13H23N3OS/c1-6-7-14-9-10(2)8-11-12(17-5)15-13(18-11)16(3)4/h8,14H,6-7,9H2,1-5H3
InChIKeyFPTYBIYVKDCHEI-UHFFFAOYSA-N
XLogP2.62
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine (CID 79341219) is 4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine is CCCNCC(C)=Cc1sc(N(C)C)nc1OC.
What is the InChIKey of 4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine?
The InChIKey is FPTYBIYVKDCHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-6-7-14-9-10(2)8-11-12(17-5)15-13(18-11)16(3)4/h8,14H,6-7,9H2,1-5H3.
What are the key properties of 4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine?
4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79341219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).