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

C12H15N3OS2 — CID 66389914

IUPAC2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCCc2ccsc2)cs1
InChIInChI=1S/C12H15N3OS2/c13-4-1-11-15-10(8-18-11)12(16)14-5-2-9-3-6-17-7-9/h3,6-8H,1-2,4-5,13H2,(H,14,16)
InChIKeyFWQBGVSEWZRCKM-UHFFFAOYSA-N
MW281.41 g/mol
LogP1.68
Rot. Bonds6

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

2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66389914) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID66389914
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCCc2ccsc2)cs1
InChIInChI=1S/C12H15N3OS2/c13-4-1-11-15-10(8-18-11)12(16)14-5-2-9-3-6-17-7-9/h3,6-8H,1-2,4-5,13H2,(H,14,16)
InChIKeyFWQBGVSEWZRCKM-UHFFFAOYSA-N
XLogP1.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389365
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633662
2-(2-aminoethyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388111
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-thiophen-3-ylethanone
CID 116585550
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate
CID 66390867
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
2-(2-aminoethyl)-N-(2-methylsulfanylethyl)-1,3-thiazole-4-carboxamide
CID 66388986
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332
2-(2-aminoethyl)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66388361
2-(2-aminoethyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624690

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide (CID 66389914) is 2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCCc2ccsc2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FWQBGVSEWZRCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c13-4-1-11-15-10(8-18-11)12(16)14-5-2-9-3-6-17-7-9/h3,6-8H,1-2,4-5,13H2,(H,14,16).
What are the key properties of 2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 281.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).