4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

C13H16BrN3OS — CID 54877601

IUPAC4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1nc(NC(=O)c2cc(Br)cn2C(C)C)sc1C
InChIInChI=1S/C13H16BrN3OS/c1-7(2)17-6-10(14)5-11(17)12(18)16-13-15-8(3)9(4)19-13/h5-7H,1-4H3,(H,15,16,18)
InChIKeyYXTUIUIXVSPANA-UHFFFAOYSA-N
MW342.26 g/mol
LogP4.16
Rot. Bonds3

About 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 54877601) has the molecular formula C13H16BrN3OS and a molecular weight of 342.26 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID54877601
Molecular FormulaC13H16BrN3OS
Molecular Weight342.26 g/mol
Exact Mass341.02
IUPAC Name4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1nc(NC(=O)c2cc(Br)cn2C(C)C)sc1C
InChIInChI=1S/C13H16BrN3OS/c1-7(2)17-6-10(14)5-11(17)12(18)16-13-15-8(3)9(4)19-13/h5-7H,1-4H3,(H,15,16,18)
InChIKeyYXTUIUIXVSPANA-UHFFFAOYSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide 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

4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 54877600
4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 80710284
4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640867
4-bromo-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60808516
4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79035675
N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60954488
4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641233
5-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 55153633
4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63562551
4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102853993
4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide
CID 60955815

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 54877601) is 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is Cc1nc(NC(=O)c2cc(Br)cn2C(C)C)sc1C.
What is the InChIKey of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is YXTUIUIXVSPANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3OS/c1-7(2)17-6-10(14)5-11(17)12(18)16-13-15-8(3)9(4)19-13/h5-7H,1-4H3,(H,15,16,18).
What are the key properties of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 342.26 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 54877601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).