[1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol

C17H22N2OS — CID 111442430

IUPAC[1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol
SMILESCc1nc(-c2ccccc2)sc1CN1CCCC(CO)C1
InChIInChI=1S/C17H22N2OS/c1-13-16(11-19-9-5-6-14(10-19)12-20)21-17(18-13)15-7-3-2-4-8-15/h2-4,7-8,14,20H,5-6,9-12H2,1H3
InChIKeyMYSWWEUFBZCBGE-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.32
Rot. Bonds4

About [1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol

[1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol (PubChem CID 111442430) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is [1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol
PubChem CID111442430
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name[1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol
SMILESCc1nc(-c2ccccc2)sc1CN1CCCC(CO)C1
InChIInChI=1S/C17H22N2OS/c1-13-16(11-19-9-5-6-14(10-19)12-20)21-17(18-13)15-7-3-2-4-8-15/h2-4,7-8,14,20H,5-6,9-12H2,1H3
InChIKeyMYSWWEUFBZCBGE-UHFFFAOYSA-N
XLogP3.32
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 110921363
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol
CID 110921340
[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 54793852
[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 129359759
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanol
CID 62021565
[1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol
CID 131890059
[1-[[6-(methylamino)-2-pyridinyl]methyl]piperidin-3-yl]methanol
CID 79242797
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857163
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone
CID 110328829

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol (CID 111442430) is [1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol is Cc1nc(-c2ccccc2)sc1CN1CCCC(CO)C1.
What is the InChIKey of [1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is MYSWWEUFBZCBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-13-16(11-19-9-5-6-14(10-19)12-20)21-17(18-13)15-7-3-2-4-8-15/h2-4,7-8,14,20H,5-6,9-12H2,1H3.
What are the key properties of [1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol?
[1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 302.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 111442430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).