N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide

C20H17FN4OS — CID 55771561

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)s1
InChIInChI=1S/C20H17FN4OS/c1-2-18-23-24-20(27-18)22-19(26)17-11-13-7-4-6-10-16(13)25(17)12-14-8-3-5-9-15(14)21/h3-11H,2,12H2,1H3,(H,22,24,26)
InChIKeyWIVREJPSZSHYCQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.49
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide (PubChem CID 55771561) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide
PubChem CID55771561
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)s1
InChIInChI=1S/C20H17FN4OS/c1-2-18-23-24-20(27-18)22-19(26)17-11-13-7-4-6-10-16(13)25(17)12-14-8-3-5-9-15(14)21/h3-11H,2,12H2,1H3,(H,22,24,26)
InChIKeyWIVREJPSZSHYCQ-UHFFFAOYSA-N
XLogP4.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 4379471
N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 778154
4-tert-Butyl-N-[5-(1H-indol-3-ylmethyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 1401180
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 2091388
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-diphenylpyrazole-3-carboxamide
CID 2426745
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-quinolinecarboxamide
CID 2441420
N-[5-(2-{(2E)-2-[(1-benzyl-1H-indol-3-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 6870042
N-butyl-N-[5-(1-methylindol-4-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 70685210
5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)indole-2-carboxamide
CID 23573398
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
CID 89523776
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
CID 89523900
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
CID 2156214

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide (CID 55771561) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide is CCc1nnc(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide?
The InChIKey is WIVREJPSZSHYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-2-18-23-24-20(27-18)22-19(26)17-11-13-7-4-6-10-16(13)25(17)12-14-8-3-5-9-15(14)21/h3-11H,2,12H2,1H3,(H,22,24,26).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 55771561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).