N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine

C9H7F2N3S — CID 3620321

IUPACN-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2ccc(F)cc2F)s1
InChIInChI=1S/C9H7F2N3S/c1-5-13-14-9(15-5)12-8-3-2-6(10)4-7(8)11/h2-4H,1H3,(H,12,14)
InChIKeyIOMHONNSSUFKOX-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.87
Rot. Bonds2

About N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine

N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 3620321) has the molecular formula C9H7F2N3S and a molecular weight of 227.24 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID3620321
Molecular FormulaC9H7F2N3S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC NameN-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2ccc(F)cc2F)s1
InChIInChI=1S/C9H7F2N3S/c1-5-13-14-9(15-5)12-8-3-2-6(10)4-7(8)11/h2-4H,1H3,(H,12,14)
InChIKeyIOMHONNSSUFKOX-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
2-[2-(2,4-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065143
5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 6459689
(2S)-N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890306
6-chloro-N-(2,4-difluorophenyl)-4,5-dimethylpyridazin-3-amine
CID 55169284
5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
CID 87812387
2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 16563023
N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465588
N-[1-(4-fluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982704
2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126629
ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 112724637
N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 103586604

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 3620321) is N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(Nc2ccc(F)cc2F)s1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is IOMHONNSSUFKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3S/c1-5-13-14-9(15-5)12-8-3-2-6(10)4-7(8)11/h2-4H,1H3,(H,12,14).
What are the key properties of N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 227.24 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3620321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).