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

C11H10ClN3O3S — CID 46525451

IUPAC3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nncs2)cc(Cl)c1OC
InChIInChI=1S/C11H10ClN3O3S/c1-17-8-4-6(3-7(12)9(8)18-2)10(16)14-11-15-13-5-19-11/h3-5H,1-2H3,(H,14,15,16)
InChIKeyAQYYFLJPPQLFQZ-UHFFFAOYSA-N
MW299.74 g/mol
LogP2.46
Rot. Bonds4

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

3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 46525451) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID46525451
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Name3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nncs2)cc(Cl)c1OC
InChIInChI=1S/C11H10ClN3O3S/c1-17-8-4-6(3-7(12)9(8)18-2)10(16)14-11-15-13-5-19-11/h3-5H,1-2H3,(H,14,15,16)
InChIKeyAQYYFLJPPQLFQZ-UHFFFAOYSA-N
XLogP2.46
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 115629999
3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 78985107
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 4009017
4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 80973968
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
3,5-dichloro-4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17013696
3-chloro-4,5-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927573
3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676765
3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25349706
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 46525451) is 3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nncs2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is AQYYFLJPPQLFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c1-17-8-4-6(3-7(12)9(8)18-2)10(16)14-11-15-13-5-19-11/h3-5H,1-2H3,(H,14,15,16).
What are the key properties of 3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 299.74 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 46525451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).