2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid

C15H14N2O3S — CID 178077256

IUPAC2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid
SMILESCc1ncc(COc2ccn3cc(C)c(C(=O)O)c3c2)s1
InChIInChI=1S/C15H14N2O3S/c1-9-7-17-4-3-11(5-13(17)14(9)15(18)19)20-8-12-6-16-10(2)21-12/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyGSEYOCJZNDFIHP-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.29
Rot. Bonds4

About 2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid

2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid (PubChem CID 178077256) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid
PubChem CID178077256
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid
SMILESCc1ncc(COc2ccn3cc(C)c(C(=O)O)c3c2)s1
InChIInChI=1S/C15H14N2O3S/c1-9-7-17-4-3-11(5-13(17)14(9)15(18)19)20-8-12-6-16-10(2)21-12/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyGSEYOCJZNDFIHP-UHFFFAOYSA-N
XLogP3.29
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylate
CID 178077281
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019403
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenol
CID 63020479
3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019580
5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 82995712
2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid
CID 53397348
(1R)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanol
CID 63364307
N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480264
2-[(2-methyl-1,3-thiazol-5-yl)methoxy]-5-nitrobenzoic acid
CID 63020472
[2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol
CID 178077313
tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane
CID 90075590
1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone
CID 55151683

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid?
The IUPAC name of 2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid (CID 178077256) is 2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid.
What is the SMILES notation for 2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid?
The canonical SMILES for 2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid is Cc1ncc(COc2ccn3cc(C)c(C(=O)O)c3c2)s1.
What is the InChIKey of 2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid?
The InChIKey is GSEYOCJZNDFIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9-7-17-4-3-11(5-13(17)14(9)15(18)19)20-8-12-6-16-10(2)21-12/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid?
2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid is sourced from PubChem (CID 178077256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).