5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C10H13FN6S2 — CID 80883744

IUPAC5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1ncc(F)c(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C10H13FN6S2/c1-4-12-8-13-5-6(11)7(14-8)18-10-16-15-9(19-10)17(2)3/h5H,4H2,1-3H3,(H,12,13,14)
InChIKeyHNACYYFKEDUVTB-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.12
Rot. Bonds5

About 5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80883744) has the molecular formula C10H13FN6S2 and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80883744
Molecular FormulaC10H13FN6S2
Molecular Weight300.39 g/mol
Exact Mass300.06
IUPAC Name5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1ncc(F)c(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C10H13FN6S2/c1-4-12-8-13-5-6(11)7(14-8)18-10-16-15-9(19-10)17(2)3/h5H,4H2,1-3H3,(H,12,13,14)
InChIKeyHNACYYFKEDUVTB-UHFFFAOYSA-N
XLogP2.12
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80883744) is 5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCNc1ncc(F)c(Sc2nnc(N(C)C)s2)n1.
What is the InChIKey of 5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HNACYYFKEDUVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6S2/c1-4-12-8-13-5-6(11)7(14-8)18-10-16-15-9(19-10)17(2)3/h5H,4H2,1-3H3,(H,12,13,14).
What are the key properties of 5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 300.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80883744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).