2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride

C18H24Cl3N3OS — CID 119824421

IUPAC2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1csc(-c2cccc(Cl)c2)n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H22ClN3OS.2ClH/c1-2-10-22(15-6-8-20-9-7-15)18(23)16-12-24-17(21-16)13-4-3-5-14(19)11-13;;/h3-5,11-12,15,20H,2,6-10H2,1H3;2*1H
InChIKeyOBYJAOXQFDLODP-UHFFFAOYSA-N
MW436.84 g/mol
LogP4.91
Rot. Bonds5

About 2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride

2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119824421) has the molecular formula C18H24Cl3N3OS and a molecular weight of 436.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119824421
Molecular FormulaC18H24Cl3N3OS
Molecular Weight436.84 g/mol
Exact Mass435.07
IUPAC Name2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1csc(-c2cccc(Cl)c2)n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H22ClN3OS.2ClH/c1-2-10-22(15-6-8-20-9-7-15)18(23)16-12-24-17(21-16)13-4-3-5-14(19)11-13;;/h3-5,11-12,15,20H,2,6-10H2,1H3;2*1H
InChIKeyOBYJAOXQFDLODP-UHFFFAOYSA-N
XLogP4.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.84
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 166298535
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CID 119824275
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119532811
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119532812
2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
CID 119823662
N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119443831
N-butyl-2-(3-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 52789665
2-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111543202
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
3-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207587
4-acetyl-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119823292
N-propyl-2-pyrazin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119824421) is 2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride is CCCN(C(=O)c1csc(-c2cccc(Cl)c2)n1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is OBYJAOXQFDLODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS.2ClH/c1-2-10-22(15-6-8-20-9-7-15)18(23)16-12-24-17(21-16)13-4-3-5-14(19)11-13;;/h3-5,11-12,15,20H,2,6-10H2,1H3;2*1H.
What are the key properties of 2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 436.84 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119824421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).