N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

C20H16BrN3OS — CID 16551690

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C20H16BrN3OS/c21-15-8-5-13(6-9-15)18-12-26-20(23-18)24-19(25)10-7-14-11-22-17-4-2-1-3-16(14)17/h1-6,8-9,11-12,22H,7,10H2,(H,23,24,25)
InChIKeyAKXRSNDFIAIAEJ-UHFFFAOYSA-N
MW426.34 g/mol
LogP5.63
Rot. Bonds5

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 16551690) has the molecular formula C20H16BrN3OS and a molecular weight of 426.34 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID16551690
Molecular FormulaC20H16BrN3OS
Molecular Weight426.34 g/mol
Exact Mass425.02
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C20H16BrN3OS/c21-15-8-5-13(6-9-15)18-12-26-20(23-18)24-19(25)10-7-14-11-22-17-4-2-1-3-16(14)17/h1-6,8-9,11-12,22H,7,10H2,(H,23,24,25)
InChIKeyAKXRSNDFIAIAEJ-UHFFFAOYSA-N
XLogP5.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.34
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7918438
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
CID 23973151
3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 41235081
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8606412
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849308
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide
CID 45035781
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
N-(6-bromo-1,3-benzothiazol-2-yl)-4-(1H-indol-3-yl)butanamide
CID 20968977
2-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 78828074

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide (CID 16551690) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is AKXRSNDFIAIAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3OS/c21-15-8-5-13(6-9-15)18-12-26-20(23-18)24-19(25)10-7-14-11-22-17-4-2-1-3-16(14)17/h1-6,8-9,11-12,22H,7,10H2,(H,23,24,25).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 426.34 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 16551690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).