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

C13H18N2S2 — CID 56800626

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCCc1nc(CN(C)CCc2cccs2)cs1
InChIInChI=1S/C13H18N2S2/c1-3-13-14-11(10-17-13)9-15(2)7-6-12-5-4-8-16-12/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyWSOHVQYXBMVRHN-UHFFFAOYSA-N
MW266.44 g/mol
LogP3.44
Rot. Bonds6

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 56800626) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
PubChem CID56800626
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCCc1nc(CN(C)CCc2cccs2)cs1
InChIInChI=1S/C13H18N2S2/c1-3-13-14-11(10-17-13)9-15(2)7-6-12-5-4-8-16-12/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyWSOHVQYXBMVRHN-UHFFFAOYSA-N
XLogP3.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine (CID 56800626) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine is CCc1nc(CN(C)CCc2cccs2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is WSOHVQYXBMVRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-3-13-14-11(10-17-13)9-15(2)7-6-12-5-4-8-16-12/h4-5,8,10H,3,6-7,9H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 266.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 56800626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).