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

C10H9ClN4OS — CID 80615264

IUPACN-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2ccccc2Cl)s1
InChIInChI=1S/C10H9ClN4OS/c1-12-10-15-14-9(17-10)8(16)13-7-5-3-2-4-6(7)11/h2-5H,1H3,(H,12,15)(H,13,16)
InChIKeyKADLSWKOIAAVOR-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.49
Rot. Bonds3

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

N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615264) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615264
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC NameN-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2ccccc2Cl)s1
InChIInChI=1S/C10H9ClN4OS/c1-12-10-15-14-9(17-10)8(16)13-7-5-3-2-4-6(7)11/h2-5H,1H3,(H,12,15)(H,13,16)
InChIKeyKADLSWKOIAAVOR-UHFFFAOYSA-N
XLogP2.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619012
N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615708
N-(4-bromo-2,3-dichlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107793429
N-(2,6-dimethyl-3-pyridinyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624708
5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618602
N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 83079349
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615974
5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615969
N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617062
N-(3-bromo-5-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107578585
N-(3,4-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618897

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615264) is N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)Nc2ccccc2Cl)s1.
What is the InChIKey of N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KADLSWKOIAAVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c1-12-10-15-14-9(17-10)8(16)13-7-5-3-2-4-6(7)11/h2-5H,1H3,(H,12,15)(H,13,16).
What are the key properties of N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 268.73 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).