2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride

C16H24Cl2N4OS2 — CID 120639992

IUPAC2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCc1nc(C(=O)NCC(c2cccs2)N2CCCC2)cs1
InChIInChI=1S/C16H22N4OS2.2ClH/c17-6-5-15-19-12(11-23-15)16(21)18-10-13(14-4-3-9-22-14)20-7-1-2-8-20;;/h3-4,9,11,13H,1-2,5-8,10,17H2,(H,18,21);2*1H
InChIKeyVGRYFYDITTVLQT-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.12
Rot. Bonds7

About 2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120639992) has the molecular formula C16H24Cl2N4OS2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120639992
Molecular FormulaC16H24Cl2N4OS2
Molecular Weight423.44 g/mol
Exact Mass422.08
IUPAC Name2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCc1nc(C(=O)NCC(c2cccs2)N2CCCC2)cs1
InChIInChI=1S/C16H22N4OS2.2ClH/c17-6-5-15-19-12(11-23-15)16(21)18-10-13(14-4-3-9-22-14)20-7-1-2-8-20;;/h3-4,9,11,13H,1-2,5-8,10,17H2,(H,18,21);2*1H
InChIKeyVGRYFYDITTVLQT-UHFFFAOYSA-N
XLogP3.12
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120639992) is 2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.NCCc1nc(C(=O)NCC(c2cccs2)N2CCCC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is VGRYFYDITTVLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS2.2ClH/c17-6-5-15-19-12(11-23-15)16(21)18-10-13(14-4-3-9-22-14)20-7-1-2-8-20;;/h3-4,9,11,13H,1-2,5-8,10,17H2,(H,18,21);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 423.44 g/mol, XLogP of 3.12, 7 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-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120639992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).