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

C15H16N2S3 — CID 103701941

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
SMILESCCc1cnc(CNCc2cc(-c3cccs3)cs2)s1
InChIInChI=1S/C15H16N2S3/c1-2-12-8-17-15(20-12)9-16-7-13-6-11(10-19-13)14-4-3-5-18-14/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyYPHJEJABZWXBMV-UHFFFAOYSA-N
MW320.51 g/mol
LogP4.79
Rot. Bonds6

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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine (PubChem CID 103701941) has the molecular formula C15H16N2S3 and a molecular weight of 320.51 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
PubChem CID103701941
Molecular FormulaC15H16N2S3
Molecular Weight320.51 g/mol
Exact Mass320.05
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
SMILESCCc1cnc(CNCc2cc(-c3cccs3)cs2)s1
InChIInChI=1S/C15H16N2S3/c1-2-12-8-17-15(20-12)9-16-7-13-6-11(10-19-13)14-4-3-5-18-14/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyYPHJEJABZWXBMV-UHFFFAOYSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine (CID 103701941) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine is CCc1cnc(CNCc2cc(-c3cccs3)cs2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The InChIKey is YPHJEJABZWXBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S3/c1-2-12-8-17-15(20-12)9-16-7-13-6-11(10-19-13)14-4-3-5-18-14/h3-6,8,10,16H,2,7,9H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine has a molecular weight of 320.51 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine is sourced from PubChem (CID 103701941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).