5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine

C7H6FN5S2 — CID 80886188

IUPAC5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1nnc(Sc2nc(N)ncc2F)s1
InChIInChI=1S/C7H6FN5S2/c1-3-12-13-7(14-3)15-5-4(8)2-10-6(9)11-5/h2H,1H3,(H2,9,10,11)
InChIKeyDYLPLAUVSUCDTB-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.51
Rot. Bonds2

About 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine

5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 80886188) has the molecular formula C7H6FN5S2 and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
PubChem CID80886188
Molecular FormulaC7H6FN5S2
Molecular Weight243.29 g/mol
Exact Mass243.00
IUPAC Name5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1nnc(Sc2nc(N)ncc2F)s1
InChIInChI=1S/C7H6FN5S2/c1-3-12-13-7(14-3)15-5-4(8)2-10-6(9)11-5/h2H,1H3,(H2,9,10,11)
InChIKeyDYLPLAUVSUCDTB-UHFFFAOYSA-N
XLogP1.51
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-N~4~,N~4~-dimethyl-N~2~-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl}pyrimidine-2,4-diamine
CID 72877914
5-fluoro-N~4~,N~4~-dimethyl-N~2~-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 72919564
5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 79075270
2-chloro-5-fluoro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 79075485
2-Chloro-5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 79075593
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole
CID 79075595
2-Chloro-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine
CID 79075596
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 79076628
2-Chloro-5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 79076832
2-Chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidine
CID 79076835
5-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,2,4-thiadiazole
CID 80426536
5-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 80426679

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine (CID 80886188) is 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine is Cc1nnc(Sc2nc(N)ncc2F)s1.
What is the InChIKey of 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is DYLPLAUVSUCDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN5S2/c1-3-12-13-7(14-3)15-5-4(8)2-10-6(9)11-5/h2H,1H3,(H2,9,10,11).
What are the key properties of 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 243.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 80886188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).