2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride

C16H22Cl3N3OS2 — CID 119533102

IUPAC2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
SMILESCCCN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C1CCNC1.Cl.Cl
InChIInChI=1S/C16H20ClN3OS2.2ClH/c1-2-7-20(12-5-6-18-9-12)15(21)8-11-10-22-16(19-11)13-3-4-14(17)23-13;;/h3-4,10,12,18H,2,5-9H2,1H3;2*1H
InChIKeyILUPQIUOZZBMCF-UHFFFAOYSA-N
MW442.87 g/mol
LogP4.51
Rot. Bonds6

About 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride

2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride (PubChem CID 119533102) has the molecular formula C16H22Cl3N3OS2 and a molecular weight of 442.87 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
PubChem CID119533102
Molecular FormulaC16H22Cl3N3OS2
Molecular Weight442.87 g/mol
Exact Mass441.03
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
SMILESCCCN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C1CCNC1.Cl.Cl
InChIInChI=1S/C16H20ClN3OS2.2ClH/c1-2-7-20(12-5-6-18-9-12)15(21)8-11-10-22-16(19-11)13-3-4-14(17)23-13;;/h3-4,10,12,18H,2,5-9H2,1H3;2*1H
InChIKeyILUPQIUOZZBMCF-UHFFFAOYSA-N
XLogP4.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119532609
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119531441
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531755
2-(2-ethyl-1,3-thiazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 119824154
2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119554017
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120555044
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 119137122
3-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824116
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 91659773
N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119826140
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 119442632

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride (CID 119533102) is 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride is CCCN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C1CCNC1.Cl.Cl.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The InChIKey is ILUPQIUOZZBMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS2.2ClH/c1-2-7-20(12-5-6-18-9-12)15(21)8-11-10-22-16(19-11)13-3-4-14(17)23-13;;/h3-4,10,12,18H,2,5-9H2,1H3;2*1H.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride has a molecular weight of 442.87 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119533102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).