4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine

C8H5ClFN3S — CID 43808189

IUPAC4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine
SMILESFc1ccccc1Nc1nsnc1Cl
InChIInChI=1S/C8H5ClFN3S/c9-7-8(13-14-12-7)11-6-4-2-1-3-5(6)10/h1-4H,(H,11,13)
InChIKeyRCALSHLMFNROOS-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.07
Rot. Bonds2

About 4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine

4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine (PubChem CID 43808189) has the molecular formula C8H5ClFN3S and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine
PubChem CID43808189
Molecular FormulaC8H5ClFN3S
Molecular Weight229.67 g/mol
Exact Mass228.99
IUPAC Name4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine
SMILESFc1ccccc1Nc1nsnc1Cl
InChIInChI=1S/C8H5ClFN3S/c9-7-8(13-14-12-7)11-6-4-2-1-3-5(6)10/h1-4H,(H,11,13)
InChIKeyRCALSHLMFNROOS-UHFFFAOYSA-N
XLogP3.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2,3-difluorophenyl)-1,2,5-thiadiazol-3-amine
CID 61075065
4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine
CID 43808139
4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine
CID 62813440
N-(2-bromo-6-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107602362
4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine
CID 107530583
4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine
CID 82820361
2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101449
3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole
CID 43808351
N-(2-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine
CID 579067
3-bromo-N-(2-fluorophenyl)pyridin-2-amine
CID 61373543
5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009828
3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102755165

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine (CID 43808189) is 4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine is Fc1ccccc1Nc1nsnc1Cl.
What is the InChIKey of 4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is RCALSHLMFNROOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3S/c9-7-8(13-14-12-7)11-6-4-2-1-3-5(6)10/h1-4H,(H,11,13).
What are the key properties of 4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 229.67 g/mol, XLogP of 3.07, 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-fluorophenyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 43808189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).