N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine

C14H22N4S — CID 107976708

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)c(C)s1)c1cn(C)cn1
InChIInChI=1S/C14H22N4S/c1-5-6-15-12(13-8-18(4)9-16-13)7-14-17-10(2)11(3)19-14/h8-9,12,15H,5-7H2,1-4H3
InChIKeyIAFVBMWDFOHUIP-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine (PubChem CID 107976708) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
PubChem CID107976708
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)c(C)s1)c1cn(C)cn1
InChIInChI=1S/C14H22N4S/c1-5-6-15-12(13-8-18(4)9-16-13)7-14-17-10(2)11(3)19-14/h8-9,12,15H,5-7H2,1-4H3
InChIKeyIAFVBMWDFOHUIP-UHFFFAOYSA-N
XLogP2.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-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

3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 107977060
1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine
CID 107973339
1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine
CID 107973946
N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107974113
N-[2-(2-chloro-3-fluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107977183
N-[1-(2-bromo-3-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 107985268
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 105019681
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107974435
1-(1-methylimidazol-4-yl)-N-propyloct-7-en-1-amine
CID 114023315
1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107977898
N-[(3-chlorothiophen-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107978081
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine (CID 107976708) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1nc(C)c(C)s1)c1cn(C)cn1.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine?
The InChIKey is IAFVBMWDFOHUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-5-6-15-12(13-8-18(4)9-16-13)7-14-17-10(2)11(3)19-14/h8-9,12,15H,5-7H2,1-4H3.
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine has a molecular weight of 278.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107976708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).