3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

C14H15N3O3S — CID 2960099

IUPAC3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(C3CCCO3)s2)c1
InChIInChI=1S/C14H15N3O3S/c1-19-10-5-2-4-9(8-10)12(18)15-14-17-16-13(21-14)11-6-3-7-20-11/h2,4-5,8,11H,3,6-7H2,1H3,(H,15,17,18)
InChIKeyUBJYRCAJIWDHPI-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.65
Rot. Bonds4

About 3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 2960099) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID2960099
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(C3CCCO3)s2)c1
InChIInChI=1S/C14H15N3O3S/c1-19-10-5-2-4-9(8-10)12(18)15-14-17-16-13(21-14)11-6-3-7-20-11/h2,4-5,8,11H,3,6-7H2,1H3,(H,15,17,18)
InChIKeyUBJYRCAJIWDHPI-UHFFFAOYSA-N
XLogP2.65
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (CID 2960099) is 3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is COc1cccc(C(=O)Nc2nnc(C3CCCO3)s2)c1.
What is the InChIKey of 3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is UBJYRCAJIWDHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-19-10-5-2-4-9(8-10)12(18)15-14-17-16-13(21-14)11-6-3-7-20-11/h2,4-5,8,11H,3,6-7H2,1H3,(H,15,17,18).
What are the key properties of 3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 305.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 2960099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).