4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride

C15H17ClN2O2S — CID 120558243

IUPAC4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
SMILESCl.c1cc2c(cc1-c1csc(C3CCNCC3)n1)OCO2
InChIInChI=1S/C15H16N2O2S.ClH/c1-2-13-14(19-9-18-13)7-11(1)12-8-20-15(17-12)10-3-5-16-6-4-10;/h1-2,7-8,10,16H,3-6,9H2;1H
InChIKeySEOHSAMCQWWVNC-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.43
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride

4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride (PubChem CID 120558243) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
PubChem CID120558243
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
SMILESCl.c1cc2c(cc1-c1csc(C3CCNCC3)n1)OCO2
InChIInChI=1S/C15H16N2O2S.ClH/c1-2-13-14(19-9-18-13)7-11(1)12-8-20-15(17-12)10-3-5-16-6-4-10;/h1-2,7-8,10,16H,3-6,9H2;1H
InChIKeySEOHSAMCQWWVNC-UHFFFAOYSA-N
XLogP3.43
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62541943
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole
CID 62541597
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558221
4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole
CID 62541433
4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile
CID 62540016
4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride
CID 71677757
hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride
CID 71677758
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide
CID 46394881
4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine
CID 8961741
4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole
CID 67324926

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride (CID 120558243) is 4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride is Cl.c1cc2c(cc1-c1csc(C3CCNCC3)n1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The InChIKey is SEOHSAMCQWWVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S.ClH/c1-2-13-14(19-9-18-13)7-11(1)12-8-20-15(17-12)10-3-5-16-6-4-10;/h1-2,7-8,10,16H,3-6,9H2;1H.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride has a molecular weight of 324.83 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120558243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).