N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide

C18H15BrN4OS2 — CID 166329333

IUPACN-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide
SMILESCC(C)(C(=O)Nc1n[nH]c2ccc(Br)cc12)c1csc(-c2cccs2)n1
InChIInChI=1S/C18H15BrN4OS2/c1-18(2,14-9-26-16(20-14)13-4-3-7-25-13)17(24)21-15-11-8-10(19)5-6-12(11)22-23-15/h3-9H,1-2H3,(H2,21,22,23,24)
InChIKeyNXZLFJSWGBKWRW-UHFFFAOYSA-N
MW447.38 g/mol
LogP5.43
Rot. Bonds4

About N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide

N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 166329333) has the molecular formula C18H15BrN4OS2 and a molecular weight of 447.38 g/mol. Its IUPAC name is N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide
PubChem CID166329333
Molecular FormulaC18H15BrN4OS2
Molecular Weight447.38 g/mol
Exact Mass445.99
IUPAC NameN-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide
SMILESCC(C)(C(=O)Nc1n[nH]c2ccc(Br)cc12)c1csc(-c2cccs2)n1
InChIInChI=1S/C18H15BrN4OS2/c1-18(2,14-9-26-16(20-14)13-4-3-7-25-13)17(24)21-15-11-8-10(19)5-6-12(11)22-23-15/h3-9H,1-2H3,(H2,21,22,23,24)
InChIKeyNXZLFJSWGBKWRW-UHFFFAOYSA-N
XLogP5.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.38
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate
CID 116890129
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2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid
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6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide
CID 112527825
N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 55594558
6-bromo-2,3-dithiophen-2-ylquinoxaline
CID 130199488
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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide (CID 166329333) is N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide is CC(C)(C(=O)Nc1n[nH]c2ccc(Br)cc12)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is NXZLFJSWGBKWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4OS2/c1-18(2,14-9-26-16(20-14)13-4-3-7-25-13)17(24)21-15-11-8-10(19)5-6-12(11)22-23-15/h3-9H,1-2H3,(H2,21,22,23,24).
What are the key properties of N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide?
N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 447.38 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 166329333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).