N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C19H15BrN4OS2 — CID 27831620

IUPACN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)Nc1ccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C19H15BrN4OS2/c20-14-5-3-13(4-6-14)11-24-17(7-8-21-24)23-18(25)10-15-12-27-19(22-15)16-2-1-9-26-16/h1-9,12H,10-11H2,(H,23,25)
InChIKeyQABDMGNSWKHAOG-UHFFFAOYSA-N
MW459.39 g/mol
LogP5.06
Rot. Bonds6

About N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 27831620) has the molecular formula C19H15BrN4OS2 and a molecular weight of 459.39 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID27831620
Molecular FormulaC19H15BrN4OS2
Molecular Weight459.39 g/mol
Exact Mass457.99
IUPAC NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)Nc1ccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C19H15BrN4OS2/c20-14-5-3-13(4-6-14)11-24-17(7-8-21-24)23-18(25)10-15-12-27-19(22-15)16-2-1-9-26-16/h1-9,12H,10-11H2,(H,23,25)
InChIKeyQABDMGNSWKHAOG-UHFFFAOYSA-N
XLogP5.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.39
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 27831620) is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccs2)n1)Nc1ccnn1Cc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is QABDMGNSWKHAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4OS2/c20-14-5-3-13(4-6-14)11-24-17(7-8-21-24)23-18(25)10-15-12-27-19(22-15)16-2-1-9-26-16/h1-9,12H,10-11H2,(H,23,25).
What are the key properties of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 459.39 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 27831620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).