[(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol

C16H19ClN2OS — CID 174594310

IUPAC[(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol
SMILESOCN1CCCC[C@@H]1c1csc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN2OS/c17-13-6-4-12(5-7-13)9-16-18-14(10-21-16)15-3-1-2-8-19(15)11-20/h4-7,10,15,20H,1-3,8-9,11H2/t15-/m1/s1
InChIKeyYGSPTOVPGBMYLB-OAHLLOKOSA-N
MW322.86 g/mol
LogP3.86
Rot. Bonds4

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

[(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol (PubChem CID 174594310) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is [(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol.

Molecular Properties

Compound Name[(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol
PubChem CID174594310
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name[(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol
SMILESOCN1CCCC[C@@H]1c1csc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN2OS/c17-13-6-4-12(5-7-13)9-16-18-14(10-21-16)15-3-1-2-8-19(15)11-20/h4-7,10,15,20H,1-3,8-9,11H2/t15-/m1/s1
InChIKeyYGSPTOVPGBMYLB-OAHLLOKOSA-N
XLogP3.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119904916
[1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 86983823
2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95818198
2-[2-(4-chlorophenyl)azepan-1-yl]acetic acid
CID 119135905
[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane
CID 170294315
N-[4-[[2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 110254674
2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol
CID 110891359
2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide
CID 155985678
N-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]oxirane-2-carboxamide
CID 154879924
2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole
CID 167769634
N-[(4-chlorophenyl)methyl]-2-[(2S)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 95104348
2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 133494818

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol?
The IUPAC name of [(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol (CID 174594310) is [(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol.
What is the SMILES notation for [(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol?
The canonical SMILES for [(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol is OCN1CCCC[C@@H]1c1csc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of [(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol?
The InChIKey is YGSPTOVPGBMYLB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c17-13-6-4-12(5-7-13)9-16-18-14(10-21-16)15-3-1-2-8-19(15)11-20/h4-7,10,15,20H,1-3,8-9,11H2/t15-/m1/s1.
What are the key properties of [(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol?
[(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol has a molecular weight of 322.86 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol is sourced from PubChem (CID 174594310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).