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

C14H20N2S2 — CID 115697598

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1cnc(C(C)NCc2cc(C)sc2C)s1
InChIInChI=1S/C14H20N2S2/c1-5-13-8-16-14(18-13)10(3)15-7-12-6-9(2)17-11(12)4/h6,8,10,15H,5,7H2,1-4H3
InChIKeyPICMSSINZWRHJH-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.23
Rot. Bonds5

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

N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 115697598) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
PubChem CID115697598
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1cnc(C(C)NCc2cc(C)sc2C)s1
InChIInChI=1S/C14H20N2S2/c1-5-13-8-16-14(18-13)10(3)15-7-12-6-9(2)17-11(12)4/h6,8,10,15H,5,7H2,1-4H3
InChIKeyPICMSSINZWRHJH-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 N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine (CID 115697598) is N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine is CCc1cnc(C(C)NCc2cc(C)sc2C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is PICMSSINZWRHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-5-13-8-16-14(18-13)10(3)15-7-12-6-9(2)17-11(12)4/h6,8,10,15H,5,7H2,1-4H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)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 N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115697598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).