N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine

C12H16N2S2 — CID 105150397

IUPACN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1scnc1C
InChIInChI=1S/C12H16N2S2/c1-9-12(16-8-14-9)11(13-2)6-5-10-4-3-7-15-10/h3-4,7-8,11,13H,5-6H2,1-2H3
InChIKeyWLBHIACEAOHEIX-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.41
Rot. Bonds5

About N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 105150397) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID105150397
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1scnc1C
InChIInChI=1S/C12H16N2S2/c1-9-12(16-8-14-9)11(13-2)6-5-10-4-3-7-15-10/h3-4,7-8,11,13H,5-6H2,1-2H3
InChIKeyWLBHIACEAOHEIX-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-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

N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150256
N-methyl-1-(3-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 55236710
1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 103374100
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine
CID 105150165
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine
CID 105112701
1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860856
1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861201
N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65131658
1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 107952963
1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861153
N-methyl-1-pyrazolo[1,5-a]pyridin-3-yl-3-thiophen-2-ylpropan-1-amine
CID 103127224

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine (CID 105150397) is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine is CNC(CCc1cccs1)c1scnc1C.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is WLBHIACEAOHEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-9-12(16-8-14-9)11(13-2)6-5-10-4-3-7-15-10/h3-4,7-8,11,13H,5-6H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine?
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 105150397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).