N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

C15H16N2S2 — CID 55108354

IUPACN-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C)cs1)c1csc2ccccc12
InChIInChI=1S/C15H16N2S2/c1-3-16-14(15-17-10(2)8-19-15)12-9-18-13-7-5-4-6-11(12)13/h4-9,14,16H,3H2,1-2H3
InChIKeyWTNXEMIPYWADSJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.37
Rot. Bonds4

About N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 55108354) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID55108354
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC NameN-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C)cs1)c1csc2ccccc12
InChIInChI=1S/C15H16N2S2/c1-3-16-14(15-17-10(2)8-19-15)12-9-18-13-7-5-4-6-11(12)13/h4-9,14,16H,3H2,1-2H3
InChIKeyWTNXEMIPYWADSJ-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine
CID 43492304
N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine
CID 61330849
N-[1-benzothiophen-3-yl-(2,6-dichlorophenyl)methyl]ethanamine
CID 43492363
N-[1-benzothiophen-3-yl-(4-bromophenyl)methyl]ethanamine
CID 43492345
N-[1-benzothiophen-3-yl-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043811
N-[1-benzothiophen-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693289
N-[1-benzothiophen-3-yl-(2-bromofuran-3-yl)methyl]ethanamine
CID 106851643
N-[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 105396957
N-[1-benzothiophen-3-yl-(2,4-dibromophenyl)methyl]ethanamine
CID 107950423
N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61346978
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997202

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 55108354) is N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nc(C)cs1)c1csc2ccccc12.
What is the InChIKey of N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is WTNXEMIPYWADSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S2/c1-3-16-14(15-17-10(2)8-19-15)12-9-18-13-7-5-4-6-11(12)13/h4-9,14,16H,3H2,1-2H3.
What are the key properties of N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 288.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 55108354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).