2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C13H21N5O2S — CID 120638873

IUPAC2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)c2csc(CCN)n2)C1
InChIInChI=1S/C13H21N5O2S/c1-2-15-13(20)18-6-4-9(7-18)16-12(19)10-8-21-11(17-10)3-5-14/h8-9H,2-7,14H2,1H3,(H,15,20)(H,16,19)
InChIKeyZKEPXMGECBLAOI-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.18
Rot. Bonds5

About 2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 120638873) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID120638873
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)c2csc(CCN)n2)C1
InChIInChI=1S/C13H21N5O2S/c1-2-15-13(20)18-6-4-9(7-18)16-12(19)10-8-21-11(17-10)3-5-14/h8-9H,2-7,14H2,1H3,(H,15,20)(H,16,19)
InChIKeyZKEPXMGECBLAOI-UHFFFAOYSA-N
XLogP0.18
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119820666
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-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 120619547
2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 66389073
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72893525
2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 114094153
2-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831852
2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 120642311
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 120638873) is 2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is CCNC(=O)N1CCC(NC(=O)c2csc(CCN)n2)C1.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZKEPXMGECBLAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-2-15-13(20)18-6-4-9(7-18)16-12(19)10-8-21-11(17-10)3-5-14/h8-9H,2-7,14H2,1H3,(H,15,20)(H,16,19).
What are the key properties of 2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120638873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).