5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide

C11H7ClN4O2S — CID 80625344

IUPAC5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1nc2cc(NC(=O)c3nnc(Cl)s3)ccc2o1
InChIInChI=1S/C11H7ClN4O2S/c1-5-13-7-4-6(2-3-8(7)18-5)14-9(17)10-15-16-11(12)19-10/h2-4H,1H3,(H,14,17)
InChIKeyDEUPCCRQAUBXGZ-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.89
Rot. Bonds2

About 5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625344) has the molecular formula C11H7ClN4O2S and a molecular weight of 294.72 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625344
Molecular FormulaC11H7ClN4O2S
Molecular Weight294.72 g/mol
Exact Mass294.00
IUPAC Name5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1nc2cc(NC(=O)c3nnc(Cl)s3)ccc2o1
InChIInChI=1S/C11H7ClN4O2S/c1-5-13-7-4-6(2-3-8(7)18-5)14-9(17)10-15-16-11(12)19-10/h2-4H,1H3,(H,14,17)
InChIKeyDEUPCCRQAUBXGZ-UHFFFAOYSA-N
XLogP2.89
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide
CID 37040651
5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 60655081
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 62059208
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107679572
5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34749993
1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 17398568
N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80626101
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80625344) is 5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide is Cc1nc2cc(NC(=O)c3nnc(Cl)s3)ccc2o1.
What is the InChIKey of 5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DEUPCCRQAUBXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O2S/c1-5-13-7-4-6(2-3-8(7)18-5)14-9(17)10-15-16-11(12)19-10/h2-4H,1H3,(H,14,17).
What are the key properties of 5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 294.72 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).