4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide

C12H11F3N4OS — CID 62186065

IUPAC4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESCCNc1ccc(C(=O)Nc2nncs2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N4OS/c1-2-16-9-4-3-7(5-8(9)12(13,14)15)10(20)18-11-19-17-6-21-11/h3-6,16H,2H2,1H3,(H,18,19,20)
InChIKeyYOWCQBOQLYAOIG-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.24
Rot. Bonds4

About 4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide

4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 62186065) has the molecular formula C12H11F3N4OS and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID62186065
Molecular FormulaC12H11F3N4OS
Molecular Weight316.31 g/mol
Exact Mass316.06
IUPAC Name4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESCCNc1ccc(C(=O)Nc2nncs2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N4OS/c1-2-16-9-4-3-7(5-8(9)12(13,14)15)10(20)18-11-19-17-6-21-11/h3-6,16H,2H2,1H3,(H,18,19,20)
InChIKeyYOWCQBOQLYAOIG-UHFFFAOYSA-N
XLogP3.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide
CID 62171618
4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide
CID 62186743
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide
CID 62409438
N-(1-cyclopropylethyl)-4-(ethylamino)-3-(trifluoromethyl)benzamide
CID 62168331
N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide
CID 55042364
4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 80973968
4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 86851557
N-cyclopropyl-4-(ethylamino)-N-methyl-3-(trifluoromethyl)benzamide
CID 62167915
4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370773
3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55103700
6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339930

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide (CID 62186065) is 4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide is CCNc1ccc(C(=O)Nc2nncs2)cc1C(F)(F)F.
What is the InChIKey of 4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is YOWCQBOQLYAOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4OS/c1-2-16-9-4-3-7(5-8(9)12(13,14)15)10(20)18-11-19-17-6-21-11/h3-6,16H,2H2,1H3,(H,18,19,20).
What are the key properties of 4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide?
4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 316.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62186065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).