4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide

C11H12BrN3OS — CID 103709203

IUPAC4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2cc(Br)c[nH]2)s1
InChIInChI=1S/C11H12BrN3OS/c1-2-8-5-14-10(17-8)6-15-11(16)9-3-7(12)4-13-9/h3-5,13H,2,6H2,1H3,(H,15,16)
InChIKeyUEBZXVWYYCMPEK-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.73
Rot. Bonds4

About 4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 103709203) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID103709203
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2cc(Br)c[nH]2)s1
InChIInChI=1S/C11H12BrN3OS/c1-2-8-5-14-10(17-8)6-15-11(16)9-3-7(12)4-13-9/h3-5,13H,2,6H2,1H3,(H,15,16)
InChIKeyUEBZXVWYYCMPEK-UHFFFAOYSA-N
XLogP2.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137
2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide
CID 103709212
5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685818
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103709233
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 47292396
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103709190
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide
CID 113245129
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 103709214
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957294
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide
CID 103693152
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 103718321

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide (CID 103709203) is 4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide is CCc1cnc(CNC(=O)c2cc(Br)c[nH]2)s1.
What is the InChIKey of 4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is UEBZXVWYYCMPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-2-8-5-14-10(17-8)6-15-11(16)9-3-7(12)4-13-9/h3-5,13H,2,6H2,1H3,(H,15,16).
What are the key properties of 4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 314.21 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 103709203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).