5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C9H9F3N6S2 — CID 106774861

IUPAC5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2cc(N)nc(C(F)(F)F)n2)s1
InChIInChI=1S/C9H9F3N6S2/c1-18(2)7-16-17-8(20-7)19-5-3-4(13)14-6(15-5)9(10,11)12/h3H,1-2H3,(H2,13,14,15)
InChIKeyKFZJHLHIBFTHDD-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.15
Rot. Bonds3

About 5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 106774861) has the molecular formula C9H9F3N6S2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID106774861
Molecular FormulaC9H9F3N6S2
Molecular Weight322.34 g/mol
Exact Mass322.03
IUPAC Name5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2cc(N)nc(C(F)(F)F)n2)s1
InChIInChI=1S/C9H9F3N6S2/c1-18(2)7-16-17-8(20-7)19-5-3-4(13)14-6(15-5)9(10,11)12/h3H,1-2H3,(H2,13,14,15)
InChIKeyKFZJHLHIBFTHDD-UHFFFAOYSA-N
XLogP2.15
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 106774861) is 5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(Sc2cc(N)nc(C(F)(F)F)n2)s1.
What is the InChIKey of 5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is KFZJHLHIBFTHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6S2/c1-18(2)7-16-17-8(20-7)19-5-3-4(13)14-6(15-5)9(10,11)12/h3H,1-2H3,(H2,13,14,15).
What are the key properties of 5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 322.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106774861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).