N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

C15H16F3N3O2S — CID 35849591

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2ccc(COCC(F)(F)F)cc2)s1
InChIInChI=1S/C15H16F3N3O2S/c1-9(2)13-20-21-14(24-13)19-12(22)11-5-3-10(4-6-11)7-23-8-15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,19,21,22)
InChIKeyKIOQXVAGDRRTLU-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.99
Rot. Bonds6

About N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 35849591) has the molecular formula C15H16F3N3O2S and a molecular weight of 359.37 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID35849591
Molecular FormulaC15H16F3N3O2S
Molecular Weight359.37 g/mol
Exact Mass359.09
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2ccc(COCC(F)(F)F)cc2)s1
InChIInChI=1S/C15H16F3N3O2S/c1-9(2)13-20-21-14(24-13)19-12(22)11-5-3-10(4-6-11)7-23-8-15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,19,21,22)
InChIKeyKIOQXVAGDRRTLU-UHFFFAOYSA-N
XLogP3.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
CID 24506412
4-(cyanomethyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179647
N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 35848386
4-N-tert-butyl-1-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 48851135
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816
4-(methoxymethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 16557264
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 24506360
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 18151175
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 35865479
N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46680510
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 30043833

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 35849591) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is CC(C)c1nnc(NC(=O)c2ccc(COCC(F)(F)F)cc2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is KIOQXVAGDRRTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S/c1-9(2)13-20-21-14(24-13)19-12(22)11-5-3-10(4-6-11)7-23-8-15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,19,21,22).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 359.37 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 35849591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).