N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide

C12H9F2N3OS — CID 3926032

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccc(F)cc1F
InChIInChI=1S/C12H9F2N3OS/c13-7-3-4-8(9(14)5-7)10(18)15-12-17-16-11(19-12)6-1-2-6/h3-6H,1-2H2,(H,15,17,18)
InChIKeyUBEGUGCTIMFSDP-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.95
Rot. Bonds3

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide (PubChem CID 3926032) has the molecular formula C12H9F2N3OS and a molecular weight of 281.29 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
PubChem CID3926032
Molecular FormulaC12H9F2N3OS
Molecular Weight281.29 g/mol
Exact Mass281.04
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccc(F)cc1F
InChIInChI=1S/C12H9F2N3OS/c13-7-3-4-8(9(14)5-7)10(18)15-12-17-16-11(19-12)6-1-2-6/h3-6H,1-2H2,(H,15,17,18)
InChIKeyUBEGUGCTIMFSDP-UHFFFAOYSA-N
XLogP2.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide
CID 86881719
N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide
CID 510252
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea
CID 39891630
2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 86962950
2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109760
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 18075073
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 8503017
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 167979514
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide
CID 18189556

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide (CID 3926032) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide is O=C(Nc1nnc(C2CC2)s1)c1ccc(F)cc1F.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide?
The InChIKey is UBEGUGCTIMFSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3OS/c13-7-3-4-8(9(14)5-7)10(18)15-12-17-16-11(19-12)6-1-2-6/h3-6H,1-2H2,(H,15,17,18).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide has a molecular weight of 281.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide is sourced from PubChem (CID 3926032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).