5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine

C6H8F3N3S2 — CID 60605231

IUPAC5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESCCSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S2/c1-2-13-5-12-11-4(14-5)10-3-6(7,8)9/h2-3H2,1H3,(H,10,11)
InChIKeySLNZNFDNJAQDOS-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.62
Rot. Bonds4

About 5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine

5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 60605231) has the molecular formula C6H8F3N3S2 and a molecular weight of 243.28 g/mol. Its IUPAC name is 5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
PubChem CID60605231
Molecular FormulaC6H8F3N3S2
Molecular Weight243.28 g/mol
Exact Mass243.01
IUPAC Name5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESCCSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S2/c1-2-13-5-12-11-4(14-5)10-3-6(7,8)9/h2-3H2,1H3,(H,10,11)
InChIKeySLNZNFDNJAQDOS-UHFFFAOYSA-N
XLogP2.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol
CID 45484392
N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 47119714
5-(Ethylthio)-N-methyl-1,3,4-thiadiazol-2-amine
CID 6453071
N-ethyl-N'-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-thiourea
CID 129824392
5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48914917
5-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48914971
5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48915077
5-propylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 52475744
N-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 56529596
5-butan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 60333936
5-but-2-ynylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 60342019
5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 60620356

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (CID 60605231) is 5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is CCSc1nnc(NCC(F)(F)F)s1.
What is the InChIKey of 5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SLNZNFDNJAQDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S2/c1-2-13-5-12-11-4(14-5)10-3-6(7,8)9/h2-3H2,1H3,(H,10,11).
What are the key properties of 5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 243.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 60605231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).