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

C13H8ClFN4S — CID 1258107

IUPACN-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(-c3cccnc3)s2)cc1Cl
InChIInChI=1S/C13H8ClFN4S/c14-10-6-9(3-4-11(10)15)17-13-19-18-12(20-13)8-2-1-5-16-7-8/h1-7H,(H,17,19)
InChIKeyPISXVEVABHIBNK-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.14
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine (PubChem CID 1258107) has the molecular formula C13H8ClFN4S and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
PubChem CID1258107
Molecular FormulaC13H8ClFN4S
Molecular Weight306.75 g/mol
Exact Mass306.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(-c3cccnc3)s2)cc1Cl
InChIInChI=1S/C13H8ClFN4S/c14-10-6-9(3-4-11(10)15)17-13-19-18-12(20-13)8-2-1-5-16-7-8/h1-7H,(H,17,19)
InChIKeyPISXVEVABHIBNK-UHFFFAOYSA-N
XLogP4.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145485
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 71180061
7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306199
N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine
CID 45034036
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine
CID 71274188
3-bromo-N-(3-chloro-4-fluorophenyl)pyridin-4-amine
CID 104776772
N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 143328866
4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
CID 71180244
N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
CID 155813034
5-acetyl-4-(3-chloro-4-fluoroanilino)-2-ethyl-6-pyridin-3-yl-2H-pyridin-3-one
CID 69139874
5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58496115

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine (CID 1258107) is N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine is Fc1ccc(Nc2nnc(-c3cccnc3)s2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is PISXVEVABHIBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4S/c14-10-6-9(3-4-11(10)15)17-13-19-18-12(20-13)8-2-1-5-16-7-8/h1-7H,(H,17,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine?
N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 306.75 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 1258107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).