4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide

C15H13F3N4OS — CID 38782444

IUPAC4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C15H13F3N4OS/c16-15(17,18)13-21-22-14(24-13)20-12(23)7-3-4-9-8-19-11-6-2-1-5-10(9)11/h1-2,5-6,8,19H,3-4,7H2,(H,20,22,23)
InChIKeySSWNZSWKPOFZDH-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.00
Rot. Bonds5

About 4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide

4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 38782444) has the molecular formula C15H13F3N4OS and a molecular weight of 354.36 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID38782444
Molecular FormulaC15H13F3N4OS
Molecular Weight354.36 g/mol
Exact Mass354.08
IUPAC Name4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C15H13F3N4OS/c16-15(17,18)13-21-22-14(24-13)20-12(23)7-3-4-9-8-19-11-6-2-1-5-10(9)11/h1-2,5-6,8,19H,3-4,7H2,(H,20,22,23)
InChIKeySSWNZSWKPOFZDH-UHFFFAOYSA-N
XLogP4.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 1303674
2-(1H-indol-3-yl)-N-[5-[4-[5-[[2-(1H-indol-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90165468
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-(6-bromo-1,3-benzothiazol-2-yl)-4-(1H-indol-3-yl)butanamide
CID 20968977
4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide
CID 114388989
4-(1H-indol-3-yl)butanamide
CID 588715
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 162628292
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 24544360
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-[4-(1H-indol-3-yl)butanoylamino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545954
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 38782444) is 4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is O=C(CCCc1c[nH]c2ccccc12)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is SSWNZSWKPOFZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4OS/c16-15(17,18)13-21-22-14(24-13)20-12(23)7-3-4-9-8-19-11-6-2-1-5-10(9)11/h1-2,5-6,8,19H,3-4,7H2,(H,20,22,23).
What are the key properties of 4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 354.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 38782444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).