4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

C15H27N3OS — CID 82754026

IUPAC4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C2CCOC2C)nc1CC
InChIInChI=1S/C15H27N3OS/c1-5-8-16-10-14-12(6-2)17-15(20-14)18(4)13-7-9-19-11(13)3/h11,13,16H,5-10H2,1-4H3
InChIKeyNSJUPEMAKPWXNO-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.82
Rot. Bonds7

About 4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 82754026) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID82754026
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C2CCOC2C)nc1CC
InChIInChI=1S/C15H27N3OS/c1-5-8-16-10-14-12(6-2)17-15(20-14)18(4)13-7-9-19-11(13)3/h11,13,16H,5-10H2,1-4H3
InChIKeyNSJUPEMAKPWXNO-UHFFFAOYSA-N
XLogP2.82
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-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

Related Compounds

N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 82734715
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768705
N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768558
N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63940677
N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine
CID 82741920
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725686
N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)pyrazin-2-amine
CID 107380700
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117851
5-(aminomethyl)-4-butan-2-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 82754568
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63726893
4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768109
4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 115987962

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 82754026) is 4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)C2CCOC2C)nc1CC.
What is the InChIKey of 4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is NSJUPEMAKPWXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-5-8-16-10-14-12(6-2)17-15(20-14)18(4)13-7-9-19-11(13)3/h11,13,16H,5-10H2,1-4H3.
What are the key properties of 4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 297.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82754026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).