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

C16H14NO2S- — CID 91928076

IUPACcyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1cccc(-c2ncc(C(O)c3cc[cH-]c3)s2)c1
InChIInChI=1S/C16H14NO2S/c1-19-13-8-4-7-12(9-13)16-17-10-14(20-16)15(18)11-5-2-3-6-11/h2-10,15,18H,1H3/q-1
InChIKeyBICZKHIXQFCUKY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.62
Rot. Bonds4

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

cyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol (PubChem CID 91928076) has the molecular formula C16H14NO2S- and a molecular weight of 284.36 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol
PubChem CID91928076
Molecular FormulaC16H14NO2S-
Molecular Weight284.36 g/mol
Exact Mass284.08
IUPAC Namecyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1cccc(-c2ncc(C(O)c3cc[cH-]c3)s2)c1
InChIInChI=1S/C16H14NO2S/c1-19-13-8-4-7-12(9-13)16-17-10-14(20-16)15(18)11-5-2-3-6-11/h2-10,15,18H,1H3/q-1
InChIKeyBICZKHIXQFCUKY-UHFFFAOYSA-N
XLogP3.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62651552
5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride
CID 54759132
1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651210
3,6-dibromo-4-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 135453484
2-chloro-5-(3-methoxyphenyl)-1,3-thiazole
CID 117259772
5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 46785031
2-methoxy-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424209
N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62651370
(2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide
CID 155272117
tert-butyl N-[(3R)-4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-3-methyl-4-oxobutyl]carbamate
CID 155271932
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of cyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol (CID 91928076) is cyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol is COc1cccc(-c2ncc(C(O)c3cc[cH-]c3)s2)c1.
What is the InChIKey of cyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is BICZKHIXQFCUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14NO2S/c1-19-13-8-4-7-12(9-13)16-17-10-14(20-16)15(18)11-5-2-3-6-11/h2-10,15,18H,1H3/q-1.
What are the key properties of cyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol?
cyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 284.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 91928076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).