2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C14H17N3O3S — CID 698933

IUPAC2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C14H17N3O3S/c1-8(2)13-16-17-14(21-13)15-12(18)11-9(19-3)6-5-7-10(11)20-4/h5-8H,1-4H3,(H,15,17,18)
InChIKeyMOFQTPAHZWVYNY-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.93
Rot. Bonds5

About 2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 698933) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID698933
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C14H17N3O3S/c1-8(2)13-16-17-14(21-13)15-12(18)11-9(19-3)6-5-7-10(11)20-4/h5-8H,1-4H3,(H,15,17,18)
InChIKeyMOFQTPAHZWVYNY-UHFFFAOYSA-N
XLogP2.93
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-4-(methylthio)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1094114
2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1094111
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide
CID 1825741
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-methoxy-benzamide
CID 648237
ethyl [(5E)-5-{[(2-methoxyphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
CID 665316
3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 665956
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 720004
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 745396
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 869015
2,6-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1150758
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 1451418

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 698933) is 2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is COc1cccc(OC)c1C(=O)Nc1nnc(C(C)C)s1.
What is the InChIKey of 2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is MOFQTPAHZWVYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8(2)13-16-17-14(21-13)15-12(18)11-9(19-3)6-5-7-10(11)20-4/h5-8H,1-4H3,(H,15,17,18).
What are the key properties of 2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 307.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 698933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).