[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride

C18H24Cl3N3OS — CID 119595537

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCCC(C(C)N)C1.Cl.Cl
InChIInChI=1S/C18H22ClN3OS.2ClH/c1-11(20)14-4-3-9-22(10-14)18(23)16-12(2)21-17(24-16)13-5-7-15(19)8-6-13;;/h5-8,11,14H,3-4,9-10,20H2,1-2H3;2*1H
InChIKeyCQFWTGNZEFZHPQ-UHFFFAOYSA-N
MW436.84 g/mol
LogP4.81
Rot. Bonds3

About [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride (PubChem CID 119595537) has the molecular formula C18H24Cl3N3OS and a molecular weight of 436.84 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride
PubChem CID119595537
Molecular FormulaC18H24Cl3N3OS
Molecular Weight436.84 g/mol
Exact Mass435.07
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCCC(C(C)N)C1.Cl.Cl
InChIInChI=1S/C18H22ClN3OS.2ClH/c1-11(20)14-4-3-9-22(10-14)18(23)16-12(2)21-17(24-16)13-5-7-15(19)8-6-13;;/h5-8,11,14H,3-4,9-10,20H2,1-2H3;2*1H
InChIKeyCQFWTGNZEFZHPQ-UHFFFAOYSA-N
XLogP4.81
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.84
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55507288
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541192
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 27661495
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119624282
[3-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119594677
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55902672
[3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride
CID 119596426
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119624283
[3-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119592949
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651049
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487802

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride (CID 119595537) is [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCCC(C(C)N)C1.Cl.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride?
The InChIKey is CQFWTGNZEFZHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS.2ClH/c1-11(20)14-4-3-9-22(10-14)18(23)16-12(2)21-17(24-16)13-5-7-15(19)8-6-13;;/h5-8,11,14H,3-4,9-10,20H2,1-2H3;2*1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride has a molecular weight of 436.84 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride is sourced from PubChem (CID 119595537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).