N-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide

C11H7ClN4OS — CID 75382253

IUPACN-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCN(C(=O)c1cnsn1)c1cc(Cl)ccc1C#N
InChIInChI=1S/C11H7ClN4OS/c1-16(11(17)9-6-14-18-15-9)10-4-8(12)3-2-7(10)5-13/h2-4,6H,1H3
InChIKeyACGTXBKBZOYWIQ-UHFFFAOYSA-N
MW278.72 g/mol
LogP2.34
Rot. Bonds2

About N-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide

N-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 75382253) has the molecular formula C11H7ClN4OS and a molecular weight of 278.72 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide
PubChem CID75382253
Molecular FormulaC11H7ClN4OS
Molecular Weight278.72 g/mol
Exact Mass278.00
IUPAC NameN-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCN(C(=O)c1cnsn1)c1cc(Cl)ccc1C#N
InChIInChI=1S/C11H7ClN4OS/c1-16(11(17)9-6-14-18-15-9)10-4-8(12)3-2-7(10)5-13/h2-4,6H,1H3
InChIKeyACGTXBKBZOYWIQ-UHFFFAOYSA-N
XLogP2.34
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide
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4-(5-chloro-2-cyano-N-methylanilino)benzoic acid
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4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile
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(2S)-2-but-3-enoxy-N-(5-chloro-2-cyanophenyl)-N-methylpropanamide
CID 97228806
2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
CID 105088259
3-(5-chloro-2-cyano-N-ethylanilino)propanoic acid
CID 55181834
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CID 63094076

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide (CID 75382253) is N-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide is CN(C(=O)c1cnsn1)c1cc(Cl)ccc1C#N.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is ACGTXBKBZOYWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4OS/c1-16(11(17)9-6-14-18-15-9)10-4-8(12)3-2-7(10)5-13/h2-4,6H,1H3.
What are the key properties of N-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide?
N-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 278.72 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 75382253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).