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

C14H11F6N3OS — CID 24506360

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H11F6N3OS/c1-6(2)11-22-23-12(25-11)21-10(24)7-3-8(13(15,16)17)5-9(4-7)14(18,19)20/h3-6H,1-2H3,(H,21,23,24)
InChIKeyBHZPDKSCOGRSMZ-UHFFFAOYSA-N
MW383.32 g/mol
LogP4.95
Rot. Bonds3

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

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 24506360) has the molecular formula C14H11F6N3OS and a molecular weight of 383.32 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID24506360
Molecular FormulaC14H11F6N3OS
Molecular Weight383.32 g/mol
Exact Mass383.05
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H11F6N3OS/c1-6(2)11-22-23-12(25-11)21-10(24)7-3-8(13(15,16)17)5-9(4-7)14(18,19)20/h3-6H,1-2H3,(H,21,23,24)
InChIKeyBHZPDKSCOGRSMZ-UHFFFAOYSA-N
XLogP4.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247167
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 18273975
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 35865479
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
CID 24506412
4-N-tert-butyl-1-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 48851135
3,5-dichloro-4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17013696
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 108766428
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 35849591
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 43990025
4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847
3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623875

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide (CID 24506360) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide is CC(C)c1nnc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is BHZPDKSCOGRSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6N3OS/c1-6(2)11-22-23-12(25-11)21-10(24)7-3-8(13(15,16)17)5-9(4-7)14(18,19)20/h3-6H,1-2H3,(H,21,23,24).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 383.32 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 24506360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).