1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol

C16H19NOS — CID 10016135

IUPAC1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
SMILESOC1(Cc2cc(-c3ccccc3)sn2)CCCCC1
InChIInChI=1S/C16H19NOS/c18-16(9-5-2-6-10-16)12-14-11-15(19-17-14)13-7-3-1-4-8-13/h1,3-4,7-8,11,18H,2,5-6,9-10,12H2
InChIKeyKWPZLHBUPHDNCO-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.05
Rot. Bonds3

About 1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol

1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol (PubChem CID 10016135) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
PubChem CID10016135
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
SMILESOC1(Cc2cc(-c3ccccc3)sn2)CCCCC1
InChIInChI=1S/C16H19NOS/c18-16(9-5-2-6-10-16)12-14-11-15(19-17-14)13-7-3-1-4-8-13/h1,3-4,7-8,11,18H,2,5-6,9-10,12H2
InChIKeyKWPZLHBUPHDNCO-UHFFFAOYSA-N
XLogP4.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-(4-Fluorophenyl)isothiazol-5-yl)propan-2-ol
CID 68328241
(3-Methyl-1,2-thiazol-5-yl)-phenylmethanol
CID 91620842
1-(5-Phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol
CID 10025156
1-(5-Phenyl-1,2-thiazol-3-yl)butan-2-ol
CID 10353949
(E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol
CID 10367896
1-[(5-Phenyl-1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 10400357
2-Methyl-1-(5-phenyl-1,2-thiazol-3-yl)propan-2-ol
CID 10421504
1-Phenyl-2-(5-phenyl-1,2-thiazol-3-yl)ethanol
CID 10446470
2-Methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol
CID 11741257
5-Phenyl-3-(2-phenylethyl)-1,2-thiazole
CID 11777645
3-Benzhydryl-5-[1-(1-methoxycyclohexa-2,4-dien-1-yl)propyl]-1,2-thiazole
CID 67560705
3-Cyclohexyl-5-phenyl-1,2-thiazole
CID 155774628

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol (CID 10016135) is 1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol is OC1(Cc2cc(-c3ccccc3)sn2)CCCCC1.
What is the InChIKey of 1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol?
The InChIKey is KWPZLHBUPHDNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c18-16(9-5-2-6-10-16)12-14-11-15(19-17-14)13-7-3-1-4-8-13/h1,3-4,7-8,11,18H,2,5-6,9-10,12H2.
What are the key properties of 1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol?
1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol has a molecular weight of 273.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 10016135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).