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

C11H15N5OS — CID 66388753

IUPAC2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCCn2cccn2)cs1
InChIInChI=1S/C11H15N5OS/c12-3-2-10-15-9(8-18-10)11(17)13-5-7-16-6-1-4-14-16/h1,4,6,8H,2-3,5,7,12H2,(H,13,17)
InChIKeyIZVKKECAAWYRNP-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.27
Rot. Bonds6

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

2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66388753) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID66388753
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCCn2cccn2)cs1
InChIInChI=1S/C11H15N5OS/c12-3-2-10-15-9(8-18-10)11(17)13-5-7-16-6-1-4-14-16/h1,4,6,8H,2-3,5,7,12H2,(H,13,17)
InChIKeyIZVKKECAAWYRNP-UHFFFAOYSA-N
XLogP0.27
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120624564
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262
2-(2-aminoethyl)-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129052232
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373431
2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390133
2-(2-aminoethyl)-N-(2-methylsulfanylethyl)-1,3-thiazole-4-carboxamide
CID 66388986
2-(2-aminoethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 80682880
2-(2-aminoethyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388111
2-(2-aminoethyl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373433
2-(2-aminoethyl)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66388361

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide (CID 66388753) is 2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCCn2cccn2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IZVKKECAAWYRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c12-3-2-10-15-9(8-18-10)11(17)13-5-7-16-6-1-4-14-16/h1,4,6,8H,2-3,5,7,12H2,(H,13,17).
What are the key properties of 2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66388753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).