N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C13H15FN4OS — CID 80616493

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC(C)Cc2ccc(F)cc2)s1
InChIInChI=1S/C13H15FN4OS/c1-8(7-9-3-5-10(14)6-4-9)16-11(19)12-17-18-13(15-2)20-12/h3-6,8H,7H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyGMODHUXUFRJGFJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.08
Rot. Bonds5

About N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616493) has the molecular formula C13H15FN4OS and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616493
Molecular FormulaC13H15FN4OS
Molecular Weight294.36 g/mol
Exact Mass294.10
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC(C)Cc2ccc(F)cc2)s1
InChIInChI=1S/C13H15FN4OS/c1-8(7-9-3-5-10(14)6-4-9)16-11(19)12-17-18-13(15-2)20-12/h3-6,8H,7H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyGMODHUXUFRJGFJ-UHFFFAOYSA-N
XLogP2.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617189
N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625854
N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63049098
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
N-[1-(4-fluorophenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618061
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 62994798
5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617107
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 60795149
3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 106544298
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
6-amino-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 63009864

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80616493) is N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NC(C)Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is GMODHUXUFRJGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4OS/c1-8(7-9-3-5-10(14)6-4-9)16-11(19)12-17-18-13(15-2)20-12/h3-6,8H,7H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).