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

C10H11F3N6S2 — CID 106774860

IUPACN,N-dimethyl-5-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCNc1cc(Sc2nnc(N(C)C)s2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6S2/c1-14-5-4-6(16-7(15-5)10(11,12)13)20-9-18-17-8(21-9)19(2)3/h4H,1-3H3,(H,14,15,16)
InChIKeyWERJGRPHZVBTBL-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.61
Rot. Bonds4

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

N,N-dimethyl-5-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 106774860) has the molecular formula C10H11F3N6S2 and a molecular weight of 336.37 g/mol. Its IUPAC name is N,N-dimethyl-5-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID106774860
Molecular FormulaC10H11F3N6S2
Molecular Weight336.37 g/mol
Exact Mass336.04
IUPAC NameN,N-dimethyl-5-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCNc1cc(Sc2nnc(N(C)C)s2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6S2/c1-14-5-4-6(16-7(15-5)10(11,12)13)20-9-18-17-8(21-9)19(2)3/h4H,1-3H3,(H,14,15,16)
InChIKeyWERJGRPHZVBTBL-UHFFFAOYSA-N
XLogP2.61
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine (CID 106774860) is N,N-dimethyl-5-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine is CNc1cc(Sc2nnc(N(C)C)s2)nc(C(F)(F)F)n1.
What is the InChIKey of N,N-dimethyl-5-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WERJGRPHZVBTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6S2/c1-14-5-4-6(16-7(15-5)10(11,12)13)20-9-18-17-8(21-9)19(2)3/h4H,1-3H3,(H,14,15,16).
What are the key properties of N,N-dimethyl-5-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 336.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106774860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).