3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide

C15H15BrN4O2S — CID 45491321

IUPAC3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOCc1nnc(NC(=O)CCn2ccc3cc(Br)ccc32)s1
InChIInChI=1S/C15H15BrN4O2S/c1-22-9-14-18-19-15(23-14)17-13(21)5-7-20-6-4-10-8-11(16)2-3-12(10)20/h2-4,6,8H,5,7,9H2,1H3,(H,17,19,21)
InChIKeyIMXOIOIIJAVJIY-UHFFFAOYSA-N
MW395.28 g/mol
LogP3.43
Rot. Bonds6

About 3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide

3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 45491321) has the molecular formula C15H15BrN4O2S and a molecular weight of 395.28 g/mol. Its IUPAC name is 3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID45491321
Molecular FormulaC15H15BrN4O2S
Molecular Weight395.28 g/mol
Exact Mass394.01
IUPAC Name3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOCc1nnc(NC(=O)CCn2ccc3cc(Br)ccc32)s1
InChIInChI=1S/C15H15BrN4O2S/c1-22-9-14-18-19-15(23-14)17-13(21)5-7-20-6-4-10-8-11(16)2-3-12(10)20/h2-4,6,8H,5,7,9H2,1H3,(H,17,19,21)
InChIKeyIMXOIOIIJAVJIY-UHFFFAOYSA-N
XLogP3.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 45491321) is 3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide is COCc1nnc(NC(=O)CCn2ccc3cc(Br)ccc32)s1.
What is the InChIKey of 3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is IMXOIOIIJAVJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O2S/c1-22-9-14-18-19-15(23-14)17-13(21)5-7-20-6-4-10-8-11(16)2-3-12(10)20/h2-4,6,8H,5,7,9H2,1H3,(H,17,19,21).
What are the key properties of 3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide?
3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 395.28 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromoindol-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 45491321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).