2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide

C13H21N3O2S — CID 66388908

IUPAC2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)N(CCO)C2CCCC2)cs1
InChIInChI=1S/C13H21N3O2S/c14-6-5-12-15-11(9-19-12)13(18)16(7-8-17)10-3-1-2-4-10/h9-10,17H,1-8,14H2
InChIKeyBODUQKYAKJMLFP-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.02
Rot. Bonds6

About 2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66388908) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID66388908
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)N(CCO)C2CCCC2)cs1
InChIInChI=1S/C13H21N3O2S/c14-6-5-12-15-11(9-19-12)13(18)16(7-8-17)10-3-1-2-4-10/h9-10,17H,1-8,14H2
InChIKeyBODUQKYAKJMLFP-UHFFFAOYSA-N
XLogP1.02
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66376261
2-(2-aminoethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 66389102
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102861928
2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120639014
2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66378238
N-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 102684996
2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120631197
2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66389758
2-(2-aminoethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120630863
2-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102865455
2-(2-aminoethyl)-N-[(2-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389969
2-(2-aminoethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618568

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide (CID 66388908) is 2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)N(CCO)C2CCCC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BODUQKYAKJMLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c14-6-5-12-15-11(9-19-12)13(18)16(7-8-17)10-3-1-2-4-10/h9-10,17H,1-8,14H2.
What are the key properties of 2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.02, 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-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66388908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).