N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C21H22N2S2 — CID 58427932

IUPACN-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(CC(NC2=NCCS2)c2cccc3sccc23)c1
InChIInChI=1S/C21H22N2S2/c1-14-10-15(2)12-16(11-14)13-19(23-21-22-7-9-25-21)17-4-3-5-20-18(17)6-8-24-20/h3-6,8,10-12,19H,7,9,13H2,1-2H3,(H,22,23)
InChIKeyBAMWYONOLKWTOP-UHFFFAOYSA-N
MW366.56 g/mol
LogP5.49
Rot. Bonds4

About N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 58427932) has the molecular formula C21H22N2S2 and a molecular weight of 366.56 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID58427932
Molecular FormulaC21H22N2S2
Molecular Weight366.56 g/mol
Exact Mass366.12
IUPAC NameN-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(CC(NC2=NCCS2)c2cccc3sccc23)c1
InChIInChI=1S/C21H22N2S2/c1-14-10-15(2)12-16(11-14)13-19(23-21-22-7-9-25-21)17-4-3-5-20-18(17)6-8-24-20/h3-6,8,10-12,19H,7,9,13H2,1-2H3,(H,22,23)
InChIKeyBAMWYONOLKWTOP-UHFFFAOYSA-N
XLogP5.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.56
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-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 N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 58427932) is N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(C)cc(CC(NC2=NCCS2)c2cccc3sccc23)c1.
What is the InChIKey of N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BAMWYONOLKWTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2S2/c1-14-10-15(2)12-16(11-14)13-19(23-21-22-7-9-25-21)17-4-3-5-20-18(17)6-8-24-20/h3-6,8,10-12,19H,7,9,13H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 366.56 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 58427932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).