5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide

C12H10Cl2N4O2S — CID 80618132

IUPAC5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)c2nnc(Cl)s2)c1
InChIInChI=1S/C12H10Cl2N4O2S/c1-18(2)11(20)6-3-4-7(13)8(5-6)15-9(19)10-16-17-12(14)21-10/h3-5H,1-2H3,(H,15,19)
InChIKeyOGMPSWZTUKHNJH-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.80
Rot. Bonds3

About 5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618132) has the molecular formula C12H10Cl2N4O2S and a molecular weight of 345.21 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618132
Molecular FormulaC12H10Cl2N4O2S
Molecular Weight345.21 g/mol
Exact Mass343.99
IUPAC Name5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)c2nnc(Cl)s2)c1
InChIInChI=1S/C12H10Cl2N4O2S/c1-18(2)11(20)6-3-4-7(13)8(5-6)15-9(19)10-16-17-12(14)21-10/h3-5H,1-2H3,(H,15,19)
InChIKeyOGMPSWZTUKHNJH-UHFFFAOYSA-N
XLogP2.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 38956363
5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618301
3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38957858
4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide
CID 38957688
5-chloro-N-[4-(dimethylamino)-2-methylphenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625694
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47086686
3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 61265397
3-[(2-bromo-4-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38956288
3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38956193
3-[(2-bromo-3-methylbutanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 43696142
3-(but-2-enoylamino)-4-chloro-N,N-dimethylbenzamide
CID 112727335

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide (CID 80618132) is 5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide is CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2nnc(Cl)s2)c1.
What is the InChIKey of 5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OGMPSWZTUKHNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2S/c1-18(2)11(20)6-3-4-7(13)8(5-6)15-9(19)10-16-17-12(14)21-10/h3-5H,1-2H3,(H,15,19).
What are the key properties of 5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 345.21 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).