N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine

C7H10F3N3S2 — CID 96540543

IUPACN-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(S[C@@H](C)C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3S2/c1-3-11-5-12-13-6(15-5)14-4(2)7(8,9)10/h4H,3H2,1-2H3,(H,11,12)/t4-/m0/s1
InChIKeyAUPDYKWQQOHLPJ-BYPYZUCNSA-N
MW257.31 g/mol
LogP3.01
Rot. Bonds4

About N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine

N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 96540543) has the molecular formula C7H10F3N3S2 and a molecular weight of 257.31 g/mol. Its IUPAC name is N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID96540543
Molecular FormulaC7H10F3N3S2
Molecular Weight257.31 g/mol
Exact Mass257.03
IUPAC NameN-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(S[C@@H](C)C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3S2/c1-3-11-5-12-13-6(15-5)14-4(2)7(8,9)10/h4H,3H2,1-2H3,(H,11,12)/t4-/m0/s1
InChIKeyAUPDYKWQQOHLPJ-BYPYZUCNSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

2-[(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol
CID 45484392
2-[[5-(2,2,2-Trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 47086617
N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 47119714
N-ethyl-N'-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-thiourea
CID 129824332
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
5-(2,2-difluoroethylsulfanyl)-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 60306327
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine (CID 96540543) is N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(S[C@@H](C)C(F)(F)F)s1.
What is the InChIKey of N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is AUPDYKWQQOHLPJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10F3N3S2/c1-3-11-5-12-13-6(15-5)14-4(2)7(8,9)10/h4H,3H2,1-2H3,(H,11,12)/t4-/m0/s1.
What are the key properties of N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 257.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 96540543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).