1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

C15H16N2S3 — CID 115680155

IUPAC1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCc1cnc(C(C)NCc2cc(-c3cccs3)cs2)s1
InChIInChI=1S/C15H16N2S3/c1-10-7-17-15(20-10)11(2)16-8-13-6-12(9-19-13)14-4-3-5-18-14/h3-7,9,11,16H,8H2,1-2H3
InChIKeyMHOPKRHKTUSICF-UHFFFAOYSA-N
MW320.51 g/mol
LogP5.09
Rot. Bonds5

About 1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (PubChem CID 115680155) has the molecular formula C15H16N2S3 and a molecular weight of 320.51 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
PubChem CID115680155
Molecular FormulaC15H16N2S3
Molecular Weight320.51 g/mol
Exact Mass320.05
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCc1cnc(C(C)NCc2cc(-c3cccs3)cs2)s1
InChIInChI=1S/C15H16N2S3/c1-10-7-17-15(20-10)11(2)16-8-13-6-12(9-19-13)14-4-3-5-18-14/h3-7,9,11,16H,8H2,1-2H3
InChIKeyMHOPKRHKTUSICF-UHFFFAOYSA-N
XLogP5.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.51
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433657
(1R)-1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81354936
1-(5-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115680118
1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433645
(1S)-1-(4-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81355528
1-(2-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433659
2-[(4-thiophen-2-ylthiophen-2-yl)methylamino]propanoic acid
CID 54959776
(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81390018
(1R)-1-(3-fluorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81369744
1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433745
4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 103700932
1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 103768976

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (CID 115680155) is 1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is Cc1cnc(C(C)NCc2cc(-c3cccs3)cs2)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The InChIKey is MHOPKRHKTUSICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S3/c1-10-7-17-15(20-10)11(2)16-8-13-6-12(9-19-13)14-4-3-5-18-14/h3-7,9,11,16H,8H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine has a molecular weight of 320.51 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 115680155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).