1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine

C14H20N2S2 — CID 103787022

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCc1cnc(CNC(C)c2cc(C)sc2C)s1
InChIInChI=1S/C14H20N2S2/c1-5-12-7-16-14(18-12)8-15-10(3)13-6-9(2)17-11(13)4/h6-7,10,15H,5,8H2,1-4H3
InChIKeyPDYNSRBKTNIZCM-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.23
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine

1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 103787022) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID103787022
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCc1cnc(CNC(C)c2cc(C)sc2C)s1
InChIInChI=1S/C14H20N2S2/c1-5-12-7-16-14(18-12)8-15-10(3)13-6-9(2)17-11(13)4/h6-7,10,15H,5,8H2,1-4H3
InChIKeyPDYNSRBKTNIZCM-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 103787022) is 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine is CCc1cnc(CNC(C)c2cc(C)sc2C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is PDYNSRBKTNIZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-5-12-7-16-14(18-12)8-15-10(3)13-6-9(2)17-11(13)4/h6-7,10,15H,5,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 280.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 103787022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).