3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid

C16H11N3O2S2 — CID 134069675

IUPAC3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid
SMILESCc1nc(-c2nc(-c3cc(C(=O)O)c4ccccn34)cs2)cs1
InChIInChI=1S/C16H11N3O2S2/c1-9-17-12(8-22-9)15-18-11(7-23-15)14-6-10(16(20)21)13-4-2-3-5-19(13)14/h2-8H,1H3,(H,20,21)
InChIKeyIUKCKBSIEXCWON-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.19
Rot. Bonds3

About 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid

3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid (PubChem CID 134069675) has the molecular formula C16H11N3O2S2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid
PubChem CID134069675
Molecular FormulaC16H11N3O2S2
Molecular Weight341.42 g/mol
Exact Mass341.03
IUPAC Name3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid
SMILESCc1nc(-c2nc(-c3cc(C(=O)O)c4ccccn34)cs2)cs1
InChIInChI=1S/C16H11N3O2S2/c1-9-17-12(8-22-9)15-18-11(7-23-15)14-6-10(16(20)21)13-4-2-3-5-19(13)14/h2-8H,1H3,(H,20,21)
InChIKeyIUKCKBSIEXCWON-UHFFFAOYSA-N
XLogP4.19
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone
CID 97446871
3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid
CID 121229439
3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide
CID 97446816
[3-(2-phenyl-1,3-thiazol-4-yl)indolizin-1-yl]-pyrrolidin-1-ylmethanone
CID 97446884
1-benzyl-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 4598977
3-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methoxyethyl)indolizine-1-carboxamide
CID 97407423
N-cyclopropyl-3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxamide
CID 97407424
2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3847884
[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 97446891
3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide
CID 97446858
4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid
CID 174668969
N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide
CID 97446923

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid?
The IUPAC name of 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid (CID 134069675) is 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid.
What is the SMILES notation for 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid?
The canonical SMILES for 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid is Cc1nc(-c2nc(-c3cc(C(=O)O)c4ccccn34)cs2)cs1.
What is the InChIKey of 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid?
The InChIKey is IUKCKBSIEXCWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S2/c1-9-17-12(8-22-9)15-18-11(7-23-15)14-6-10(16(20)21)13-4-2-3-5-19(13)14/h2-8H,1H3,(H,20,21).
What are the key properties of 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid?
3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid has a molecular weight of 341.42 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid is sourced from PubChem (CID 134069675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).