3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide

C14H12BrN3OS — CID 166365205

IUPAC3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
SMILESO=C(CCc1ccc(Br)s1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H12BrN3OS/c15-13-5-3-11(20-13)4-6-14(19)17-10-2-1-9-8-16-18-12(9)7-10/h1-3,5,7-8H,4,6H2,(H,16,18)(H,17,19)
InChIKeyIRJNYMRTNHCIQG-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.96
Rot. Bonds4

About 3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide

3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide (PubChem CID 166365205) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
PubChem CID166365205
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC Name3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
SMILESO=C(CCc1ccc(Br)s1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H12BrN3OS/c15-13-5-3-11(20-13)4-6-14(19)17-10-2-1-9-8-16-18-12(9)7-10/h1-3,5,7-8H,4,6H2,(H,16,18)(H,17,19)
InChIKeyIRJNYMRTNHCIQG-UHFFFAOYSA-N
XLogP3.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
CID 166179582
3-(4-fluorophenyl)-N-(1H-indazol-6-yl)propanamide
CID 36561610
N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide
CID 36563064
4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide
CID 166329289
N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide
CID 110731205
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide
CID 47030832
5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide
CID 82012714
N-(1H-indazol-5-yl)-3-thiophen-2-ylpropanamide
CID 134050773
N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide
CID 155966917
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
2-amino-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]acetamide
CID 60849787
2-(4-aminophenyl)-N-(1H-indazol-6-yl)acetamide
CID 43710788

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide (CID 166365205) is 3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide is O=C(CCc1ccc(Br)s1)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide?
The InChIKey is IRJNYMRTNHCIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c15-13-5-3-11(20-13)4-6-14(19)17-10-2-1-9-8-16-18-12(9)7-10/h1-3,5,7-8H,4,6H2,(H,16,18)(H,17,19).
What are the key properties of 3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide?
3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide has a molecular weight of 350.24 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide is sourced from PubChem (CID 166365205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).