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

C9H8F3N5S3 — CID 106775288

IUPACN-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nnc(SC)s2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5S3/c1-13-4-3-5(15-6(14-4)9(10,11)12)19-8-17-16-7(18-2)20-8/h3H,1-2H3,(H,13,14,15)
InChIKeySVSLSVDZJXDLMG-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.26
Rot. Bonds4

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

N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775288) has the molecular formula C9H8F3N5S3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775288
Molecular FormulaC9H8F3N5S3
Molecular Weight339.39 g/mol
Exact Mass338.99
IUPAC NameN-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nnc(SC)s2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5S3/c1-13-4-3-5(15-6(14-4)9(10,11)12)19-8-17-16-7(18-2)20-8/h3H,1-2H3,(H,13,14,15)
InChIKeySVSLSVDZJXDLMG-UHFFFAOYSA-N
XLogP3.26
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886547
N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775119
N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566913
N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886273
N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107785223
N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774909
6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775008
5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 106768733
3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761591
5-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80972938
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 115384369
N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886006

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775288) is N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Sc2nnc(SC)s2)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SVSLSVDZJXDLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5S3/c1-13-4-3-5(15-6(14-4)9(10,11)12)19-8-17-16-7(18-2)20-8/h3H,1-2H3,(H,13,14,15).
What are the key properties of N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 339.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).