[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol

C16H19ClN2OS — CID 133451629

IUPAC[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol
SMILESCC1(CO)CCCN(c2nc(-c3ccccc3Cl)cs2)C1
InChIInChI=1S/C16H19ClN2OS/c1-16(11-20)7-4-8-19(10-16)15-18-14(9-21-15)12-5-2-3-6-13(12)17/h2-3,5-6,9,20H,4,7-8,10-11H2,1H3
InChIKeyGMFVSWMSETWIGG-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.06
Rot. Bonds3

About [1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol

[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol (PubChem CID 133451629) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is [1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol
PubChem CID133451629
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol
SMILESCC1(CO)CCCN(c2nc(-c3ccccc3Cl)cs2)C1
InChIInChI=1S/C16H19ClN2OS/c1-16(11-20)7-4-8-19(10-16)15-18-14(9-21-15)12-5-2-3-6-13(12)17/h2-3,5-6,9,20H,4,7-8,10-11H2,1H3
InChIKeyGMFVSWMSETWIGG-UHFFFAOYSA-N
XLogP4.06
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol?
The IUPAC name of [1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol (CID 133451629) is [1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol is CC1(CO)CCCN(c2nc(-c3ccccc3Cl)cs2)C1.
What is the InChIKey of [1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol?
The InChIKey is GMFVSWMSETWIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-16(11-20)7-4-8-19(10-16)15-18-14(9-21-15)12-5-2-3-6-13(12)17/h2-3,5-6,9,20H,4,7-8,10-11H2,1H3.
What are the key properties of [1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol?
[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol has a molecular weight of 322.86 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 133451629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).