cyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol

C16H14NOS- — CID 91928068

IUPACcyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol
SMILESCc1ccccc1-c1ncc(C(O)c2cc[cH-]c2)s1
InChIInChI=1S/C16H14NOS/c1-11-6-2-5-9-13(11)16-17-10-14(19-16)15(18)12-7-3-4-8-12/h2-10,15,18H,1H3/q-1
InChIKeyLOJNPJRUSYKTSR-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.92
Rot. Bonds3

About cyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol

cyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol (PubChem CID 91928068) has the molecular formula C16H14NOS- and a molecular weight of 268.36 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol
PubChem CID91928068
Molecular FormulaC16H14NOS-
Molecular Weight268.36 g/mol
Exact Mass268.08
IUPAC Namecyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol
SMILESCc1ccccc1-c1ncc(C(O)c2cc[cH-]c2)s1
InChIInChI=1S/C16H14NOS/c1-11-6-2-5-9-13(11)16-17-10-14(19-16)15(18)12-7-3-4-8-12/h2-10,15,18H,1H3/q-1
InChIKeyLOJNPJRUSYKTSR-UHFFFAOYSA-N
XLogP3.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 91928076
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091825
1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62653754
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338
5-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82514693
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
1-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653902
1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653548
1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 63035079
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 50969385
(2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide
CID 95208947
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651208

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of cyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol (CID 91928068) is cyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol is Cc1ccccc1-c1ncc(C(O)c2cc[cH-]c2)s1.
What is the InChIKey of cyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is LOJNPJRUSYKTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14NOS/c1-11-6-2-5-9-13(11)16-17-10-14(19-16)15(18)12-7-3-4-8-12/h2-10,15,18H,1H3/q-1.
What are the key properties of cyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol?
cyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 268.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 91928068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).