5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide

C7H9F3N4O2S — CID 80617326

IUPAC5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)NCCOCC(F)(F)F)s1
InChIInChI=1S/C7H9F3N4O2S/c8-7(9,10)3-16-2-1-12-4(15)5-13-14-6(11)17-5/h1-3H2,(H2,11,14)(H,12,15)
InChIKeyRBDKUQBUFKRTPN-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.43
Rot. Bonds5

About 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide

5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617326) has the molecular formula C7H9F3N4O2S and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617326
Molecular FormulaC7H9F3N4O2S
Molecular Weight270.24 g/mol
Exact Mass270.04
IUPAC Name5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)NCCOCC(F)(F)F)s1
InChIInChI=1S/C7H9F3N4O2S/c8-7(9,10)3-16-2-1-12-4(15)5-13-14-6(11)17-5/h1-3H2,(H2,11,14)(H,12,15)
InChIKeyRBDKUQBUFKRTPN-UHFFFAOYSA-N
XLogP0.43
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 104765544
5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide
CID 82947069
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide
CID 106280130
5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615780
5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide
CID 80616925
3-amino-5-bromo-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 107872781
2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 103890229
6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 66462180
5-carbamothioyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2-carboxamide
CID 63828156
2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 55261445
5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride
CID 120620047
2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate
CID 83215592

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 80617326) is 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide is Nc1nnc(C(=O)NCCOCC(F)(F)F)s1.
What is the InChIKey of 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RBDKUQBUFKRTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2S/c8-7(9,10)3-16-2-1-12-4(15)5-13-14-6(11)17-5/h1-3H2,(H2,11,14)(H,12,15).
What are the key properties of 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 270.24 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).