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

C11H15FN6S2 — CID 80882932

IUPAC5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1ncc(F)c(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C11H15FN6S2/c1-4-5-13-9-14-6-7(12)8(15-9)19-11-17-16-10(20-11)18(2)3/h6H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyGJTQOHJSKONPBX-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.51
Rot. Bonds6

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

5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80882932) has the molecular formula C11H15FN6S2 and a molecular weight of 314.42 g/mol. Its IUPAC name is 5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80882932
Molecular FormulaC11H15FN6S2
Molecular Weight314.42 g/mol
Exact Mass314.08
IUPAC Name5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1ncc(F)c(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C11H15FN6S2/c1-4-5-13-9-14-6-7(12)8(15-9)19-11-17-16-10(20-11)18(2)3/h6H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyGJTQOHJSKONPBX-UHFFFAOYSA-N
XLogP2.51
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80882932) is 5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCCNc1ncc(F)c(Sc2nnc(N(C)C)s2)n1.
What is the InChIKey of 5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GJTQOHJSKONPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6S2/c1-4-5-13-9-14-6-7(12)8(15-9)19-11-17-16-10(20-11)18(2)3/h6H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 314.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80882932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).