N-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide

C8H11F3N4OS — CID 80614962

IUPACN-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nnc(NC)s1
InChIInChI=1S/C8H11F3N4OS/c1-3-15(4-8(9,10)11)6(16)5-13-14-7(12-2)17-5/h3-4H2,1-2H3,(H,12,14)
InChIKeyOTTXGUSRUZJXHQ-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.60
Rot. Bonds4

About N-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide

N-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80614962) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is N-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80614962
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC NameN-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nnc(NC)s1
InChIInChI=1S/C8H11F3N4OS/c1-3-15(4-8(9,10)11)6(16)5-13-14-7(12-2)17-5/h3-4H2,1-2H3,(H,12,14)
InChIKeyOTTXGUSRUZJXHQ-UHFFFAOYSA-N
XLogP1.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-Diethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 60274825
4-[2-(diethylamino)-2-oxoethyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 60327136
1-[2-(Diethylamino)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 60562951
2-(Diethylamino)-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)acetamide
CID 71356959
2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71913735
N-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80614877
5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80614878
5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80614880
N-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80614960
N-ethyl-5-(ethylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80614961
5-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80614964
5-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615048

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80614962) is N-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is CCN(CC(F)(F)F)C(=O)c1nnc(NC)s1.
What is the InChIKey of N-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OTTXGUSRUZJXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c1-3-15(4-8(9,10)11)6(16)5-13-14-7(12-2)17-5/h3-4H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
N-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 268.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80614962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).