2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C13H21N5O2S — CID 66389073

IUPAC2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NC2CCN(CC(N)=O)CC2)cs1
InChIInChI=1S/C13H21N5O2S/c14-4-1-12-17-10(8-21-12)13(20)16-9-2-5-18(6-3-9)7-11(15)19/h8-9H,1-7,14H2,(H2,15,19)(H,16,20)
InChIKeyFQUQHGSAEXODAB-UHFFFAOYSA-N
MW311.41 g/mol
LogP-0.68
Rot. Bonds6

About 2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 66389073) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID66389073
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NC2CCN(CC(N)=O)CC2)cs1
InChIInChI=1S/C13H21N5O2S/c14-4-1-12-17-10(8-21-12)13(20)16-9-2-5-18(6-3-9)7-11(15)19/h8-9H,1-7,14H2,(H2,15,19)(H,16,20)
InChIKeyFQUQHGSAEXODAB-UHFFFAOYSA-N
XLogP-0.68
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66389502
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640032
2-(2-aminoethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619837
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
2-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831852
2-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119854229
2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619724
2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120643504
2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 120619547
2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 120638873
2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66377431
2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119861365

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 66389073) is 2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NC2CCN(CC(N)=O)CC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is FQUQHGSAEXODAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c14-4-1-12-17-10(8-21-12)13(20)16-9-2-5-18(6-3-9)7-11(15)19/h8-9H,1-7,14H2,(H2,15,19)(H,16,20).
What are the key properties of 2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).