methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate

C10H10N2O2S — CID 136988898

IUPACmethyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(-c2cc[nH]c2)n1
InChIInChI=1S/C10H10N2O2S/c1-14-9(13)4-8-6-15-10(12-8)7-2-3-11-5-7/h2-3,5-6,11H,4H2,1H3
InChIKeyZXJYNLPLBOHAPS-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.85
Rot. Bonds3

About methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 136988898) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate
PubChem CID136988898
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Namemethyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(-c2cc[nH]c2)n1
InChIInChI=1S/C10H10N2O2S/c1-14-9(13)4-8-6-15-10(12-8)7-2-3-11-5-7/h2-3,5-6,11H,4H2,1H3
InChIKeyZXJYNLPLBOHAPS-UHFFFAOYSA-N
XLogP1.85
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol
CID 136988851
methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913070
methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 106847709
methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 80574115
methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate
CID 80574366
methyl 3-methyl-2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]butanoate
CID 136989001
methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate
CID 83090537
methyl 2-[2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 91434658
methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate
CID 18273893
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 113393847
methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 103442928

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate (CID 136988898) is methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(-c2cc[nH]c2)n1.
What is the InChIKey of methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is ZXJYNLPLBOHAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-14-9(13)4-8-6-15-10(12-8)7-2-3-11-5-7/h2-3,5-6,11H,4H2,1H3.
What are the key properties of methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 222.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 136988898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).