N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C10H7Cl2FN4OS — CID 83079349

IUPACN-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2c(Cl)cc(F)cc2Cl)s1
InChIInChI=1S/C10H7Cl2FN4OS/c1-14-10-17-16-9(19-10)8(18)15-7-5(11)2-4(13)3-6(7)12/h2-3H,1H3,(H,14,17)(H,15,18)
InChIKeyREYRZQZWAMHFNJ-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.28
Rot. Bonds3

About N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 83079349) has the molecular formula C10H7Cl2FN4OS and a molecular weight of 321.16 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID83079349
Molecular FormulaC10H7Cl2FN4OS
Molecular Weight321.16 g/mol
Exact Mass319.97
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2c(Cl)cc(F)cc2Cl)s1
InChIInChI=1S/C10H7Cl2FN4OS/c1-14-10-17-16-9(19-10)8(18)15-7-5(11)2-4(13)3-6(7)12/h2-3H,1H3,(H,14,17)(H,15,18)
InChIKeyREYRZQZWAMHFNJ-UHFFFAOYSA-N
XLogP3.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 83079441
N-(3,4-dichlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618888
N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615264
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107593947
N-(4-bromo-2,3-dichlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107793429
N-(3,4-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618897
5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 107586704
N-(3-bromo-5-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107578585
N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80623783
N-(3,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616145
5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618037

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 83079349) is N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)Nc2c(Cl)cc(F)cc2Cl)s1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is REYRZQZWAMHFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN4OS/c1-14-10-17-16-9(19-10)8(18)15-7-5(11)2-4(13)3-6(7)12/h2-3H,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 321.16 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 83079349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).