1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one

C11H12N2O2S — CID 118609147

IUPAC1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1sc(-c2ccc[nH]2)nc1OC
InChIInChI=1S/C11H12N2O2S/c1-3-8(14)9-10(15-2)13-11(16-9)7-5-4-6-12-7/h4-6,12H,3H2,1-2H3
InChIKeyDNFNWFYYSDDXGH-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.74
Rot. Bonds4

About 1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one

1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 118609147) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID118609147
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1sc(-c2ccc[nH]2)nc1OC
InChIInChI=1S/C11H12N2O2S/c1-3-8(14)9-10(15-2)13-11(16-9)7-5-4-6-12-7/h4-6,12H,3H2,1-2H3
InChIKeyDNFNWFYYSDDXGH-UHFFFAOYSA-N
XLogP2.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one
CID 118609224
1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one
CID 118609209
methyl 4-chloro-2-(1H-pyrrol-2-yl)-1,3-thiazole-5-carboxylate
CID 136678166
1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one
CID 118609248
1-[2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-3-methylbutan-1-one
CID 118609241
2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 136988524
1-[3-(1H-pyrrol-2-yl)phenyl]propan-1-one
CID 103341584
4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 137001721
2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol
CID 136988683
3-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propanenitrile
CID 136988644
[1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol
CID 136988709
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 170389034

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one (CID 118609147) is 1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one is CCC(=O)c1sc(-c2ccc[nH]2)nc1OC.
What is the InChIKey of 1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is DNFNWFYYSDDXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-8(14)9-10(15-2)13-11(16-9)7-5-4-6-12-7/h4-6,12H,3H2,1-2H3.
What are the key properties of 1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one?
1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 236.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 118609147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).