azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole

C4H6F3N3S — CID 69158828

IUPACazane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCc1nnc(C(F)(F)F)s1.N
InChIInChI=1S/C4H3F3N2S.H3N/c1-2-8-9-3(10-2)4(5,6)7;/h1H3;1H3
InChIKeyRNTBBCTUNFGJBA-UHFFFAOYSA-N
MW185.17 g/mol
LogP2.03
Rot. Bonds

About azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole

azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 69158828) has the molecular formula C4H6F3N3S and a molecular weight of 185.17 g/mol. Its IUPAC name is azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Nameazane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID69158828
Molecular FormulaC4H6F3N3S
Molecular Weight185.17 g/mol
Exact Mass185.02
IUPAC Nameazane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCc1nnc(C(F)(F)F)s1.N
InChIInChI=1S/C4H3F3N2S.H3N/c1-2-8-9-3(10-2)4(5,6)7;/h1H3;1H3
InChIKeyRNTBBCTUNFGJBA-UHFFFAOYSA-N
XLogP2.03
TPSA60.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 69158828) is azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole is Cc1nnc(C(F)(F)F)s1.N.
What is the InChIKey of azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is RNTBBCTUNFGJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S.H3N/c1-2-8-9-3(10-2)4(5,6)7;/h1H3;1H3.
What are the key properties of azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 185.17 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 69158828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).