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

C16H22ClN3OS — CID 120898672

IUPAC5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCc1ccc(OC2CCN(Cc3cnc(N)s3)CC2)cc1.Cl
InChIInChI=1S/C16H21N3OS.ClH/c1-12-2-4-13(5-3-12)20-14-6-8-19(9-7-14)11-15-10-18-16(17)21-15;/h2-5,10,14H,6-9,11H2,1H3,(H2,17,18);1H
InChIKeyDRRTUBKUIYXACC-UHFFFAOYSA-N
MW339.89 g/mol
LogP3.50
Rot. Bonds4

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

5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120898672) has the molecular formula C16H22ClN3OS and a molecular weight of 339.89 g/mol. Its IUPAC name is 5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120898672
Molecular FormulaC16H22ClN3OS
Molecular Weight339.89 g/mol
Exact Mass339.12
IUPAC Name5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCc1ccc(OC2CCN(Cc3cnc(N)s3)CC2)cc1.Cl
InChIInChI=1S/C16H21N3OS.ClH/c1-12-2-4-13(5-3-12)20-14-6-8-19(9-7-14)11-15-10-18-16(17)21-15;/h2-5,10,14H,6-9,11H2,1H3,(H2,17,18);1H
InChIKeyDRRTUBKUIYXACC-UHFFFAOYSA-N
XLogP3.50
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120904524
5-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120899557
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903931
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
2-methyl-5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 118794125
5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 25258494
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905616
5-[[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904110
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120898685

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120898672) is 5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cc1ccc(OC2CCN(Cc3cnc(N)s3)CC2)cc1.Cl.
What is the InChIKey of 5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is DRRTUBKUIYXACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS.ClH/c1-12-2-4-13(5-3-12)20-14-6-8-19(9-7-14)11-15-10-18-16(17)21-15;/h2-5,10,14H,6-9,11H2,1H3,(H2,17,18);1H.
What are the key properties of 5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 339.89 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120898672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).