[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol

C11H11N5O2S2 — CID 94962827

IUPAC[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol
SMILESCOCc1nnc(-n2nnc(CO)c2-c2cccs2)s1
InChIInChI=1S/C11H11N5O2S2/c1-18-6-9-13-14-11(20-9)16-10(7(5-17)12-15-16)8-3-2-4-19-8/h2-4,17H,5-6H2,1H3
InChIKeyVYSQODGHLRQMOZ-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.49
Rot. Bonds5

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

[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol (PubChem CID 94962827) has the molecular formula C11H11N5O2S2 and a molecular weight of 309.38 g/mol. Its IUPAC name is [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol
PubChem CID94962827
Molecular FormulaC11H11N5O2S2
Molecular Weight309.38 g/mol
Exact Mass309.04
IUPAC Name[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol
SMILESCOCc1nnc(-n2nnc(CO)c2-c2cccs2)s1
InChIInChI=1S/C11H11N5O2S2/c1-18-6-9-13-14-11(20-9)16-10(7(5-17)12-15-16)8-3-2-4-19-8/h2-4,17H,5-6H2,1H3
InChIKeyVYSQODGHLRQMOZ-UHFFFAOYSA-N
XLogP1.49
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol (CID 94962827) is [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol is COCc1nnc(-n2nnc(CO)c2-c2cccs2)s1.
What is the InChIKey of [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol?
The InChIKey is VYSQODGHLRQMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S2/c1-18-6-9-13-14-11(20-9)16-10(7(5-17)12-15-16)8-3-2-4-19-8/h2-4,17H,5-6H2,1H3.
What are the key properties of [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol?
[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol has a molecular weight of 309.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 94962827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).