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

C11H11FN4O2S — CID 80623783

IUPACN-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2cc(OC)ccc2F)s1
InChIInChI=1S/C11H11FN4O2S/c1-13-11-16-15-10(19-11)9(17)14-8-5-6(18-2)3-4-7(8)12/h3-5H,1-2H3,(H,13,16)(H,14,17)
InChIKeyLOGLEIKDZYNIPM-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.98
Rot. Bonds4

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

N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80623783) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80623783
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC NameN-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2cc(OC)ccc2F)s1
InChIInChI=1S/C11H11FN4O2S/c1-13-11-16-15-10(19-11)9(17)14-8-5-6(18-2)3-4-7(8)12/h3-5H,1-2H3,(H,13,16)(H,14,17)
InChIKeyLOGLEIKDZYNIPM-UHFFFAOYSA-N
XLogP1.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107593947
N-(2-bromo-5-methoxyphenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624690
N-(2,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617762
5-(ethylamino)-N-(4-methoxy-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616813
N-[(3-methoxyphenyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616034
N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615264
2-bromo-6-fluoro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115687168
N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615708
N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 83079349
N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107032493
5-(methylamino)-N-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618388
N-(4-bromo-2,3-dichlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107793429

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80623783) is N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)Nc2cc(OC)ccc2F)s1.
What is the InChIKey of N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is LOGLEIKDZYNIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-13-11-16-15-10(19-11)9(17)14-8-5-6(18-2)3-4-7(8)12/h3-5H,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80623783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).