2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide

C13H22N4O2S — CID 66389490

IUPAC2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1csc(CCN)n1
InChIInChI=1S/C13H22N4O2S/c1-4-17(5-2)12(18)8-16(3)13(19)10-9-20-11(15-10)6-7-14/h9H,4-8,14H2,1-3H3
InChIKeyJKPGNOXEKFOHPV-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.58
Rot. Bonds7

About 2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 66389490) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID66389490
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1csc(CCN)n1
InChIInChI=1S/C13H22N4O2S/c1-4-17(5-2)12(18)8-16(3)13(19)10-9-20-11(15-10)6-7-14/h9H,4-8,14H2,1-3H3
InChIKeyJKPGNOXEKFOHPV-UHFFFAOYSA-N
XLogP0.58
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 81059550
2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624157
2-(2-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389291
2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66374204
2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66389758
2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120630619
2-(2-aminoethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120617526
2-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 105417476
2-(2-aminoethyl)-N-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-4-carboxamide
CID 120646541
2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388082
2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 120630074
2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120637590

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 66389490) is 2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)CN(C)C(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is JKPGNOXEKFOHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-17(5-2)12(18)8-16(3)13(19)10-9-20-11(15-10)6-7-14/h9H,4-8,14H2,1-3H3.
What are the key properties of 2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).