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

C19H24Cl3N3OS — CID 119623241

IUPAC[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H22ClN3OS.2ClH/c20-15-3-1-2-14(10-15)18-22-17(12-25-18)19(24)23-8-6-16(7-9-23)21-11-13-4-5-13;;/h1-3,10,12-13,16,21H,4-9,11H2;2*1H
InChIKeyWYFCISJVFVSUJW-UHFFFAOYSA-N
MW448.85 g/mol
LogP4.91
Rot. Bonds5

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

[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119623241) has the molecular formula C19H24Cl3N3OS and a molecular weight of 448.85 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119623241
Molecular FormulaC19H24Cl3N3OS
Molecular Weight448.85 g/mol
Exact Mass447.07
IUPAC Name[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H22ClN3OS.2ClH/c20-15-3-1-2-14(10-15)18-22-17(12-25-18)19(24)23-8-6-16(7-9-23)21-11-13-4-5-13;;/h1-3,10,12-13,16,21H,4-9,11H2;2*1H
InChIKeyWYFCISJVFVSUJW-UHFFFAOYSA-N
XLogP4.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.85
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119561577
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119490176
[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119621879
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-(1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119416065
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 119546686
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 78845987
[4-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55573968
[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 86939209
1-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117917
2-[4-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55428969
2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119624978
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride (CID 119623241) is [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride is Cl.Cl.O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is WYFCISJVFVSUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3OS.2ClH/c20-15-3-1-2-14(10-15)18-22-17(12-25-18)19(24)23-8-6-16(7-9-23)21-11-13-4-5-13;;/h1-3,10,12-13,16,21H,4-9,11H2;2*1H.
What are the key properties of [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride?
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 448.85 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)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119623241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).