1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol

C14H11NOS — CID 58759766

IUPAC1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol
SMILESC=C1C=CC(O)(c2nc3ccccc3s2)C=C1
InChIInChI=1S/C14H11NOS/c1-10-6-8-14(16,9-7-10)13-15-11-4-2-3-5-12(11)17-13/h2-9,16H,1H2
InChIKeyFARMXOPHTPIVCK-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.17
Rot. Bonds1

About 1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol

1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol (PubChem CID 58759766) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol
PubChem CID58759766
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol
SMILESC=C1C=CC(O)(c2nc3ccccc3s2)C=C1
InChIInChI=1S/C14H11NOS/c1-10-6-8-14(16,9-7-10)13-15-11-4-2-3-5-12(11)17-13/h2-9,16H,1H2
InChIKeyFARMXOPHTPIVCK-UHFFFAOYSA-N
XLogP3.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole
CID 177247731
3-(1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 134128343
2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole
CID 166636791
1,6-bis(1,3-benzothiazol-2-yl)-2,3,4,5-tetramethyl-6-pent-1-en-2-ylcyclohexa-2,4-dien-1-ol
CID 141165930
1-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylcyclohexan-1-ol
CID 141093200
O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine
CID 165437924
phenothiazin-1-imine
CID 86103988
2-bromo-1,3-benzothiazole;hydrazine
CID 174709808
dihydroxy(oxo)phosphanium;2-methyl-1,3-benzothiazole
CID 68800497
methyl 4-(1,3-benzothiazol-2-yl)bicyclo[2.2.2]octane-1-carboxylate
CID 154684150
2-[(5S,7R)-spiro[adamantane-2,2'-oxirane]-1-yl]-1,3-benzothiazole
CID 100978436
2-(3-methylbut-1-en-2-yl)-1,3-benzothiazole
CID 163918945

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol (CID 58759766) is 1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol is C=C1C=CC(O)(c2nc3ccccc3s2)C=C1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol?
The InChIKey is FARMXOPHTPIVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-10-6-8-14(16,9-7-10)13-15-11-4-2-3-5-12(11)17-13/h2-9,16H,1H2.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol?
1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol has a molecular weight of 241.31 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 58759766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).