[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol

C11H17N5O2S — CID 82221572

IUPAC[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol
SMILESCOCc1nnc(-n2nnc(CO)c2CC(C)C)s1
InChIInChI=1S/C11H17N5O2S/c1-7(2)4-9-8(5-17)12-15-16(9)11-14-13-10(19-11)6-18-3/h7,17H,4-6H2,1-3H3
InChIKeyAZCLHULGVRTLMX-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.96
Rot. Bonds6

About [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol

[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol (PubChem CID 82221572) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol
PubChem CID82221572
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol
SMILESCOCc1nnc(-n2nnc(CO)c2CC(C)C)s1
InChIInChI=1S/C11H17N5O2S/c1-7(2)4-9-8(5-17)12-15-16(9)11-14-13-10(19-11)6-18-3/h7,17H,4-6H2,1-3H3
InChIKeyAZCLHULGVRTLMX-UHFFFAOYSA-N
XLogP0.96
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol?
The IUPAC name of [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol (CID 82221572) is [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol?
The canonical SMILES for [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol is COCc1nnc(-n2nnc(CO)c2CC(C)C)s1.
What is the InChIKey of [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol?
The InChIKey is AZCLHULGVRTLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-7(2)4-9-8(5-17)12-15-16(9)11-14-13-10(19-11)6-18-3/h7,17H,4-6H2,1-3H3.
What are the key properties of [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol?
[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol has a molecular weight of 283.36 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol is sourced from PubChem (CID 82221572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).