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

C14H11F3N6S2 — CID 133294081

IUPACN,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2cc(C(F)(F)F)nc(-c3ccccn3)n2)s1
InChIInChI=1S/C14H11F3N6S2/c1-23(2)12-21-22-13(25-12)24-10-7-9(14(15,16)17)19-11(20-10)8-5-3-4-6-18-8/h3-7H,1-2H3
InChIKeyFVNKWLVSBXOXFB-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.63
Rot. Bonds4

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

N,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 133294081) has the molecular formula C14H11F3N6S2 and a molecular weight of 384.41 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID133294081
Molecular FormulaC14H11F3N6S2
Molecular Weight384.41 g/mol
Exact Mass384.04
IUPAC NameN,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2cc(C(F)(F)F)nc(-c3ccccn3)n2)s1
InChIInChI=1S/C14H11F3N6S2/c1-23(2)12-21-22-13(25-12)24-10-7-9(14(15,16)17)19-11(20-10)8-5-3-4-6-18-8/h3-7H,1-2H3
InChIKeyFVNKWLVSBXOXFB-UHFFFAOYSA-N
XLogP3.63
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114563049
4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 134115580
4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 133311585
N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475718
3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile
CID 133370478
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133380062
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942
5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931266
N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 97018968
N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine
CID 86900427
N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 2730488

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine (CID 133294081) is N,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(Sc2cc(C(F)(F)F)nc(-c3ccccn3)n2)s1.
What is the InChIKey of N,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FVNKWLVSBXOXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6S2/c1-23(2)12-21-22-13(25-12)24-10-7-9(14(15,16)17)19-11(20-10)8-5-3-4-6-18-8/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 384.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133294081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).