1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone

C11H12N2OS — CID 79106608

IUPAC1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(Cc2cnc(C)s2)c1
InChIInChI=1S/C11H12N2OS/c1-8(14)10-3-4-13(6-10)7-11-5-12-9(2)15-11/h3-6H,7H2,1-2H3
InChIKeyKNZYZAXKOYDGGK-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.50
Rot. Bonds3

About 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone

1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone (PubChem CID 79106608) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone
PubChem CID79106608
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(Cc2cnc(C)s2)c1
InChIInChI=1S/C11H12N2OS/c1-8(14)10-3-4-13(6-10)7-11-5-12-9(2)15-11/h3-6H,7H2,1-2H3
InChIKeyKNZYZAXKOYDGGK-UHFFFAOYSA-N
XLogP2.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 121512400
1-[1-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanone
CID 81594335
1-[1-[(5-Ethylthiophen-2-yl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanone
CID 81600703
2,2,2-Trifluoro-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone
CID 81600711
2,2,2-Trifluoro-1-[1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]ethanone
CID 81600931
2,2,2-Trifluoro-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanone
CID 81601008
2,2,2-Trifluoro-1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrol-3-yl]ethanone
CID 81601009
1-[1-[(2-Ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanone
CID 81601010
2,2,2-Trifluoro-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanone
CID 81601080
1-[1-[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanone
CID 81601091
2,2,2-Trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]ethanone
CID 81601459
2,2,2-Trifluoro-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanone
CID 81601556

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone (CID 79106608) is 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone is CC(=O)c1ccn(Cc2cnc(C)s2)c1.
What is the InChIKey of 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone?
The InChIKey is KNZYZAXKOYDGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8(14)10-3-4-13(6-10)7-11-5-12-9(2)15-11/h3-6H,7H2,1-2H3.
What are the key properties of 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone?
1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone has a molecular weight of 220.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone is sourced from PubChem (CID 79106608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).