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

C11H12BrN3OS — CID 55171880

IUPAC4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide
SMILESCc1ncsc1CNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C11H12BrN3OS/c1-7-10(17-6-14-7)4-13-11(16)9-3-8(12)5-15(9)2/h3,5-6H,4H2,1-2H3,(H,13,16)
InChIKeyUIKSHRNLUXIXBV-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.48
Rot. Bonds3

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

4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide (PubChem CID 55171880) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide
PubChem CID55171880
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide
SMILESCc1ncsc1CNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C11H12BrN3OS/c1-7-10(17-6-14-7)4-13-11(16)9-3-8(12)5-15(9)2/h3,5-6H,4H2,1-2H3,(H,13,16)
InChIKeyUIKSHRNLUXIXBV-UHFFFAOYSA-N
XLogP2.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43411105
4-bromo-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283747
2-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55171879
2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113257504
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 136529761
4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 113231385
4-bromo-1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 63825722
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-methylpyrrole-2-carboxamide
CID 81090225
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 106853946
6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 103875321
4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 103722169

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide (CID 55171880) is 4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide is Cc1ncsc1CNC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is UIKSHRNLUXIXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-7-10(17-6-14-7)4-13-11(16)9-3-8(12)5-15(9)2/h3,5-6H,4H2,1-2H3,(H,13,16).
What are the key properties of 4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide?
4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 314.21 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 55171880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).