5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol

C16H21N3O3S — CID 6918641

IUPAC5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol
SMILESCOc1c(O)cc(-c2nn(C)/c(=N/C3CCCCC3)s2)cc1O
InChIInChI=1S/C16H21N3O3S/c1-19-16(17-11-6-4-3-5-7-11)23-15(18-19)10-8-12(20)14(22-2)13(21)9-10/h8-9,11,20-21H,3-7H2,1-2H3/b17-16-
InChIKeyUZDBDDOQDGKSBO-MSUUIHNZSA-N
MW335.43 g/mol
LogP2.80
Rot. Bonds3

About 5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol

5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol (PubChem CID 6918641) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol.

Molecular Properties

Compound Name5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol
PubChem CID6918641
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol
SMILESCOc1c(O)cc(-c2nn(C)/c(=N/C3CCCCC3)s2)cc1O
InChIInChI=1S/C16H21N3O3S/c1-19-16(17-11-6-4-3-5-7-11)23-15(18-19)10-8-12(20)14(22-2)13(21)9-10/h8-9,11,20-21H,3-7H2,1-2H3/b17-16-
InChIKeyUZDBDDOQDGKSBO-MSUUIHNZSA-N
XLogP2.80
TPSA79.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol?
The IUPAC name of 5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol (CID 6918641) is 5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol.
What is the SMILES notation for 5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol?
The canonical SMILES for 5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol is COc1c(O)cc(-c2nn(C)/c(=N/C3CCCCC3)s2)cc1O.
What is the InChIKey of 5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol?
The InChIKey is UZDBDDOQDGKSBO-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-19-16(17-11-6-4-3-5-7-11)23-15(18-19)10-8-12(20)14(22-2)13(21)9-10/h8-9,11,20-21H,3-7H2,1-2H3/b17-16-.
What are the key properties of 5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol?
5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol has a molecular weight of 335.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzene-1,3-diol is sourced from PubChem (CID 6918641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).