3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide

C14H12BrN3OS — CID 166179582

IUPAC3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
SMILESO=C(CCc1cc(Br)cs1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H12BrN3OS/c15-10-5-12(20-8-10)3-4-14(19)17-11-2-1-9-7-16-18-13(9)6-11/h1-2,5-8H,3-4H2,(H,16,18)(H,17,19)
InChIKeyFMHKFPAHQWKRJJ-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.96
Rot. Bonds4

About 3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide

3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide (PubChem CID 166179582) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
PubChem CID166179582
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC Name3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
SMILESO=C(CCc1cc(Br)cs1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H12BrN3OS/c15-10-5-12(20-8-10)3-4-14(19)17-11-2-1-9-7-16-18-13(9)6-11/h1-2,5-8H,3-4H2,(H,16,18)(H,17,19)
InChIKeyFMHKFPAHQWKRJJ-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-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
CID 166365205
3-(4-fluorophenyl)-N-(1H-indazol-6-yl)propanamide
CID 36561610
N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide
CID 36563064
N-(1H-indazol-5-yl)-3-thiophen-2-ylpropanamide
CID 134050773
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
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide
CID 82012714
2-(2-amino-1,3-thiazol-4-yl)-N-(1H-indazol-6-yl)acetamide
CID 62800301
N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide
CID 155966917
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide
CID 62921447
2-amino-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]acetamide
CID 60849787

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide?
The IUPAC name of 3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide (CID 166179582) is 3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide is O=C(CCc1cc(Br)cs1)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide?
The InChIKey is FMHKFPAHQWKRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c15-10-5-12(20-8-10)3-4-14(19)17-11-2-1-9-7-16-18-13(9)6-11/h1-2,5-8H,3-4H2,(H,16,18)(H,17,19).
What are the key properties of 3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide?
3-(4-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-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide is sourced from PubChem (CID 166179582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).