4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine

C9H6ClF2N3S — CID 82820361

IUPAC4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine
SMILESCc1ccc(F)c(Nc2nsnc2Cl)c1F
InChIInChI=1S/C9H6ClF2N3S/c1-4-2-3-5(11)7(6(4)12)13-9-8(10)14-16-15-9/h2-3H,1H3,(H,13,15)
InChIKeyNZGJIKMMUDDZSN-UHFFFAOYSA-N
MW261.68 g/mol
LogP3.52
Rot. Bonds2

About 4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine

4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine (PubChem CID 82820361) has the molecular formula C9H6ClF2N3S and a molecular weight of 261.68 g/mol. Its IUPAC name is 4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine
PubChem CID82820361
Molecular FormulaC9H6ClF2N3S
Molecular Weight261.68 g/mol
Exact Mass260.99
IUPAC Name4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine
SMILESCc1ccc(F)c(Nc2nsnc2Cl)c1F
InChIInChI=1S/C9H6ClF2N3S/c1-4-2-3-5(11)7(6(4)12)13-9-8(10)14-16-15-9/h2-3H,1H3,(H,13,15)
InChIKeyNZGJIKMMUDDZSN-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-6-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107602362
3-chloro-4-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazole
CID 82823092
5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 82815662
4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine
CID 43808139
4-chloro-N-(2,3-difluorophenyl)-1,2,5-thiadiazol-3-amine
CID 61075065
5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine
CID 82820362
4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine
CID 43808189
4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine
CID 62813440
3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile
CID 107058219
N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 82820207
2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 82816630
4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 82823181

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine (CID 82820361) is 4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine is Cc1ccc(F)c(Nc2nsnc2Cl)c1F.
What is the InChIKey of 4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is NZGJIKMMUDDZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF2N3S/c1-4-2-3-5(11)7(6(4)12)13-9-8(10)14-16-15-9/h2-3H,1H3,(H,13,15).
What are the key properties of 4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 261.68 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 82820361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).