N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine

C14H20N2OS2 — CID 51077070

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCc1nc(CN(CCOC)Cc2cccs2)cs1
InChIInChI=1S/C14H20N2OS2/c1-3-14-15-12(11-19-14)9-16(6-7-17-2)10-13-5-4-8-18-13/h4-5,8,11H,3,6-7,9-10H2,1-2H3
InChIKeyUTFFXHSMODKIQV-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.42
Rot. Bonds8

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 51077070) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID51077070
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCc1nc(CN(CCOC)Cc2cccs2)cs1
InChIInChI=1S/C14H20N2OS2/c1-3-14-15-12(11-19-14)9-16(6-7-17-2)10-13-5-4-8-18-13/h4-5,8,11H,3,6-7,9-10H2,1-2H3
InChIKeyUTFFXHSMODKIQV-UHFFFAOYSA-N
XLogP3.42
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine (CID 51077070) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine is CCc1nc(CN(CCOC)Cc2cccs2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is UTFFXHSMODKIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c1-3-14-15-12(11-19-14)9-16(6-7-17-2)10-13-5-4-8-18-13/h4-5,8,11H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 296.46 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 51077070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).