3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide

C13H10Br2N2OS — CID 107980376

IUPAC3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H10Br2N2OS/c14-9-3-8(4-10(15)5-9)12(18)17-13-16-11(6-19-13)7-1-2-7/h3-7H,1-2H2,(H,16,17,18)
InChIKeyCKOLJFSMWGPUAC-UHFFFAOYSA-N
MW402.11 g/mol
LogP4.80
Rot. Bonds3

About 3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide

3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide (PubChem CID 107980376) has the molecular formula C13H10Br2N2OS and a molecular weight of 402.11 g/mol. Its IUPAC name is 3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
PubChem CID107980376
Molecular FormulaC13H10Br2N2OS
Molecular Weight402.11 g/mol
Exact Mass399.89
IUPAC Name3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H10Br2N2OS/c14-9-3-8(4-10(15)5-9)12(18)17-13-16-11(6-19-13)7-1-2-7/h3-7H,1-2H2,(H,16,17,18)
InChIKeyCKOLJFSMWGPUAC-UHFFFAOYSA-N
XLogP4.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.11
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide
CID 104852540
5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 32865110
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
3,5-diacetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32863174
4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide
CID 112705830
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide
CID 32863513
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186693
2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 113237268
4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 32863519
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 32866726
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoropyridine-4-carboxamide
CID 54958473
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61479305

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide (CID 107980376) is 3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(C2CC2)cs1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CKOLJFSMWGPUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2OS/c14-9-3-8(4-10(15)5-9)12(18)17-13-16-11(6-19-13)7-1-2-7/h3-7H,1-2H2,(H,16,17,18).
What are the key properties of 3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide?
3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 402.11 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 107980376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).