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

C13H11BrN4OS — CID 45492259

IUPAC3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCn1ccc2cc(Br)ccc21)Nc1nncs1
InChIInChI=1S/C13H11BrN4OS/c14-10-1-2-11-9(7-10)3-5-18(11)6-4-12(19)16-13-17-15-8-20-13/h1-3,5,7-8H,4,6H2,(H,16,17,19)
InChIKeyZDAFBMSWDDYIFE-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.28
Rot. Bonds4

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

3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 45492259) has the molecular formula C13H11BrN4OS and a molecular weight of 351.23 g/mol. Its IUPAC name is 3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID45492259
Molecular FormulaC13H11BrN4OS
Molecular Weight351.23 g/mol
Exact Mass349.98
IUPAC Name3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCn1ccc2cc(Br)ccc21)Nc1nncs1
InChIInChI=1S/C13H11BrN4OS/c14-10-1-2-11-9(7-10)3-5-18(11)6-4-12(19)16-13-17-15-8-20-13/h1-3,5,7-8H,4,6H2,(H,16,17,19)
InChIKeyZDAFBMSWDDYIFE-UHFFFAOYSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 3420795
5-(5-bromoindol-1-yl)pentanoic acid
CID 43152065
3-(5-bromoindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide
CID 71701461
(2S,3R)-2-[3-(5-bromoindol-1-yl)propanoylamino]-3-methylpentanoic acid
CID 45490726
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
3-(6-bromoindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide
CID 51720111
3-(6-bromoindol-1-yl)-N-ethylpropanamide
CID 116621862
2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455405
N-[(5-bromoindol-1-yl)methyl]acetamide
CID 173119259
5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19225426
2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 42537123
N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide
CID 47257817

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 45492259) is 3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide is O=C(CCn1ccc2cc(Br)ccc21)Nc1nncs1.
What is the InChIKey of 3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is ZDAFBMSWDDYIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4OS/c14-10-1-2-11-9(7-10)3-5-18(11)6-4-12(19)16-13-17-15-8-20-13/h1-3,5,7-8H,4,6H2,(H,16,17,19).
What are the key properties of 3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 351.23 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 45492259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).