2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide

C13H22N4OS — CID 66373431

IUPAC2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCCCN2CCCC2)cs1
InChIInChI=1S/C13H22N4OS/c14-5-4-12-16-11(10-19-12)13(18)15-6-3-9-17-7-1-2-8-17/h10H,1-9,14H2,(H,15,18)
InChIKeyLNNGCPGROFSKQB-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.86
Rot. Bonds7

About 2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 66373431) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID66373431
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCCCN2CCCC2)cs1
InChIInChI=1S/C13H22N4OS/c14-5-4-12-16-11(10-19-12)13(18)15-6-3-9-17-7-1-2-8-17/h10H,1-9,14H2,(H,15,18)
InChIKeyLNNGCPGROFSKQB-UHFFFAOYSA-N
XLogP0.86
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethyl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373433
2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 62787661
2-(2-aminoethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66388742
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[3-(azepan-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 120629089
2-(2-aminoethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66388857
2-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide
CID 113327458
2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 120642311
2-(2-aminoethyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
CID 120646096
2-(2-aminoethyl)-N-(2-piperidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66390454
2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119852710
methyl 6-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]hexanoate
CID 120617892

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide (CID 66373431) is 2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCCCN2CCCC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LNNGCPGROFSKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c14-5-4-12-16-11(10-19-12)13(18)15-6-3-9-17-7-1-2-8-17/h10H,1-9,14H2,(H,15,18).
What are the key properties of 2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66373431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).