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

C11H9Cl2FN4OS — CID 83079441

IUPACN-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2c(Cl)cc(F)cc2Cl)s1
InChIInChI=1S/C11H9Cl2FN4OS/c1-2-15-11-18-17-10(20-11)9(19)16-8-6(12)3-5(14)4-7(8)13/h3-4H,2H2,1H3,(H,15,18)(H,16,19)
InChIKeyIRKCLTKRHSOKIU-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.67
Rot. Bonds4

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

N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 83079441) has the molecular formula C11H9Cl2FN4OS and a molecular weight of 335.19 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID83079441
Molecular FormulaC11H9Cl2FN4OS
Molecular Weight335.19 g/mol
Exact Mass333.99
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2c(Cl)cc(F)cc2Cl)s1
InChIInChI=1S/C11H9Cl2FN4OS/c1-2-15-11-18-17-10(20-11)9(19)16-8-6(12)3-5(14)4-7(8)13/h3-4H,2H2,1H3,(H,15,18)(H,16,19)
InChIKeyIRKCLTKRHSOKIU-UHFFFAOYSA-N
XLogP3.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 83079349
N-(3,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616145
N-(2,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617762
N-(5-bromo-2-chlorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617307
N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618436
N-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624713
N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615093
N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619477
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615212
5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615969
5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615974
5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 80615301

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 83079441) is N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)Nc2c(Cl)cc(F)cc2Cl)s1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is IRKCLTKRHSOKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN4OS/c1-2-15-11-18-17-10(20-11)9(19)16-8-6(12)3-5(14)4-7(8)13/h3-4H,2H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 335.19 g/mol, XLogP of 3.67, 4 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-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 83079441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).