[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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Related Compounds

[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol
CID 94962827
[5-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanol
CID 82221452
5-butyl-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carbonitrile
CID 82221558
[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82221614
ethyl 5-amino-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxylate
CID 82221624
1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-pentan-3-yltriazole-4-carbonitrile
CID 82221567
[5-benzyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanol
CID 94962795
5-tert-butyl-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carbaldehyde
CID 82221565
[5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220922
[5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220951
2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide
CID 82211248
[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol
CID 82211038

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).