4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide

C14H11F3N4O2S2 — CID 39051458

IUPAC4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1
InChIInChI=1S/C14H11F3N4O2S2/c1-2-8-11(25-21-20-8)12(22)19-13-18-9-4-3-7(5-10(9)24-13)23-6-14(15,16)17/h3-5H,2,6H2,1H3,(H,18,19,22)
InChIKeyIBKPLSQPQOGEHD-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.90
Rot. Bonds5

About 4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide

4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide (PubChem CID 39051458) has the molecular formula C14H11F3N4O2S2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide
PubChem CID39051458
Molecular FormulaC14H11F3N4O2S2
Molecular Weight388.40 g/mol
Exact Mass388.03
IUPAC Name4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1
InChIInChI=1S/C14H11F3N4O2S2/c1-2-8-11(25-21-20-8)12(22)19-13-18-9-4-3-7(5-10(9)24-13)23-6-14(15,16)17/h3-5H,2,6H2,1H3,(H,18,19,22)
InChIKeyIBKPLSQPQOGEHD-UHFFFAOYSA-N
XLogP3.90
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride
CID 119719229
1-amino-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 119719194
5,6-dichloro-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
CID 55675885
6-methyl-4-oxo-1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pyridazine-3-carboxamide
CID 39055007
1-methyl-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]quinoline-4-carboxamide
CID 55764150
1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pyrazole-4-carboxamide
CID 55655843
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]propanamide
CID 39054968
5-nitro-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]-1H-indazole-3-carboxamide
CID 78869403
N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851453
2-(2-nitrophenyl)-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 39055134
N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 52583702
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 9124163

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide (CID 39051458) is 4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1.
What is the InChIKey of 4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide?
The InChIKey is IBKPLSQPQOGEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2S2/c1-2-8-11(25-21-20-8)12(22)19-13-18-9-4-3-7(5-10(9)24-13)23-6-14(15,16)17/h3-5H,2,6H2,1H3,(H,18,19,22).
What are the key properties of 4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide?
4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 39051458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).