5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C16H20Cl3N3OS — CID 120904110

IUPAC5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)s1
InChIInChI=1S/C16H19Cl2N3OS.ClH/c17-14-2-1-11(7-15(14)18)10-22-12-3-5-21(6-4-12)9-13-8-20-16(19)23-13;/h1-2,7-8,12H,3-6,9-10H2,(H2,19,20);1H
InChIKeyIMLXUGZJTBHBIE-UHFFFAOYSA-N
MW408.78 g/mol
LogP4.64
Rot. Bonds5

About 5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120904110) has the molecular formula C16H20Cl3N3OS and a molecular weight of 408.78 g/mol. Its IUPAC name is 5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120904110
Molecular FormulaC16H20Cl3N3OS
Molecular Weight408.78 g/mol
Exact Mass407.04
IUPAC Name5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)s1
InChIInChI=1S/C16H19Cl2N3OS.ClH/c17-14-2-1-11(7-15(14)18)10-22-12-3-5-21(6-4-12)9-13-8-20-16(19)23-13;/h1-2,7-8,12H,3-6,9-10H2,(H2,19,20);1H
InChIKeyIMLXUGZJTBHBIE-UHFFFAOYSA-N
XLogP4.64
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.78
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904537
5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120904538
5-[[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120904524
5-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903931
5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 25258494
5-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120899557
5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898672
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897945
4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride
CID 120898009
5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897575
5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903805

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120904110) is 5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)s1.
What is the InChIKey of 5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is IMLXUGZJTBHBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3OS.ClH/c17-14-2-1-11(7-15(14)18)10-22-12-3-5-21(6-4-12)9-13-8-20-16(19)23-13;/h1-2,7-8,12H,3-6,9-10H2,(H2,19,20);1H.
What are the key properties of 5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 408.78 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120904110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).