2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide

C13H17N3OS2 — CID 66388715

IUPAC2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1csc(CCN)n1
InChIInChI=1S/C13H17N3OS2/c1-9(11-4-3-7-18-11)16(2)13(17)10-8-19-12(15-10)5-6-14/h3-4,7-9H,5-6,14H2,1-2H3
InChIKeyFBUWDAOBXWRRQW-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.54
Rot. Bonds5

About 2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66388715) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID66388715
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1csc(CCN)n1
InChIInChI=1S/C13H17N3OS2/c1-9(11-4-3-7-18-11)16(2)13(17)10-8-19-12(15-10)5-6-14/h3-4,7-9H,5-6,14H2,1-2H3
InChIKeyFBUWDAOBXWRRQW-UHFFFAOYSA-N
XLogP2.54
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727054
2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621554
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621650
2-(4-chlorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 42923069
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66376296
4-amino-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55041564
6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55052175
2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388082
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
2-(aminomethyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 97108607
2-(2-aminoethyl)-N-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-4-carboxamide
CID 120646541
2-(2-aminoethyl)-N-(1-benzothiophen-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 120620568

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide (CID 66388715) is 2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide is CC(c1cccs1)N(C)C(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FBUWDAOBXWRRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-9(11-4-3-7-18-11)16(2)13(17)10-8-19-12(15-10)5-6-14/h3-4,7-9H,5-6,14H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66388715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).