5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

C9H6ClF3N4S2 — CID 24567155

IUPAC5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Sc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C9H6ClF3N4S2/c1-14-7-16-17-8(19-7)18-6-5(10)2-4(3-15-6)9(11,12)13/h2-3H,1H3,(H,14,16)
InChIKeyGOLUKBKMISPLKX-UHFFFAOYSA-N
MW326.76 g/mol
LogP3.80
Rot. Bonds3

About 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 24567155) has the molecular formula C9H6ClF3N4S2 and a molecular weight of 326.76 g/mol. Its IUPAC name is 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID24567155
Molecular FormulaC9H6ClF3N4S2
Molecular Weight326.76 g/mol
Exact Mass325.97
IUPAC Name5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Sc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C9H6ClF3N4S2/c1-14-7-16-17-8(19-7)18-6-5(10)2-4(3-15-6)9(11,12)13/h2-3H,1H3,(H,14,16)
InChIKeyGOLUKBKMISPLKX-UHFFFAOYSA-N
XLogP3.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 24567155) is 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(Sc2ncc(C(F)(F)F)cc2Cl)s1.
What is the InChIKey of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GOLUKBKMISPLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4S2/c1-14-7-16-17-8(19-7)18-6-5(10)2-4(3-15-6)9(11,12)13/h2-3H,1H3,(H,14,16).
What are the key properties of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 326.76 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24567155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).