N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide

C10H6Cl2N4O2S — CID 80626101

IUPACN-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2nnc(Cl)s2)ccc1Cl
InChIInChI=1S/C10H6Cl2N4O2S/c11-6-2-1-4(3-5(6)7(13)17)14-8(18)9-15-16-10(12)19-9/h1-3H,(H2,13,17)(H,14,18)
InChIKeyRMFSHVJYADYOIO-UHFFFAOYSA-N
MW317.16 g/mol
LogP2.20
Rot. Bonds3

About N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide

N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80626101) has the molecular formula C10H6Cl2N4O2S and a molecular weight of 317.16 g/mol. Its IUPAC name is N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
PubChem CID80626101
Molecular FormulaC10H6Cl2N4O2S
Molecular Weight317.16 g/mol
Exact Mass315.96
IUPAC NameN-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2nnc(Cl)s2)ccc1Cl
InChIInChI=1S/C10H6Cl2N4O2S/c11-6-2-1-4(3-5(6)7(13)17)14-8(18)9-15-16-10(12)19-9/h1-3H,(H2,13,17)(H,14,18)
InChIKeyRMFSHVJYADYOIO-UHFFFAOYSA-N
XLogP2.20
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107679572
N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706
5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617817
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625856
5-chloro-N-[4-(propanoylamino)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624941
5-chloro-N-(4-fluoro-3-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625004
5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625824
N-(3,4-dichlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618888
5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625452
5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625234
5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625344

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (CID 80626101) is N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is NC(=O)c1cc(NC(=O)c2nnc(Cl)s2)ccc1Cl.
What is the InChIKey of N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RMFSHVJYADYOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4O2S/c11-6-2-1-4(3-5(6)7(13)17)14-8(18)9-15-16-10(12)19-9/h1-3H,(H2,13,17)(H,14,18).
What are the key properties of N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 317.16 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80626101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).