4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

C15H14N2O2S — CID 43664492

IUPAC4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESCCc1cccc2ccn(Cc3csc(C(=O)O)n3)c12
InChIInChI=1S/C15H14N2O2S/c1-2-10-4-3-5-11-6-7-17(13(10)11)8-12-9-20-14(16-12)15(18)19/h3-7,9H,2,8H2,1H3,(H,18,19)
InChIKeyKDCVVHYYRMTQJG-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.41
Rot. Bonds4

About 4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 43664492) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID43664492
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESCCc1cccc2ccn(Cc3csc(C(=O)O)n3)c12
InChIInChI=1S/C15H14N2O2S/c1-2-10-4-3-5-11-6-7-17(13(10)11)8-12-9-20-14(16-12)15(18)19/h3-7,9H,2,8H2,1H3,(H,18,19)
InChIKeyKDCVVHYYRMTQJG-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63312694
5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630203
7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole
CID 107054395
7-ethyl-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116618872
4-[(6-bromoindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 62047233
4-[(7-ethylindol-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 62273625
4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 43664440
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde
CID 102910167
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine
CID 102913727
2-ethyl-4-[(7-nitroindol-1-yl)methyl]-1,3-thiazole
CID 75469975

Frequently Asked Questions

What is the IUPAC name of 4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid (CID 43664492) is 4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid is CCc1cccc2ccn(Cc3csc(C(=O)O)n3)c12.
What is the InChIKey of 4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is KDCVVHYYRMTQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-10-4-3-5-11-6-7-17(13(10)11)8-12-9-20-14(16-12)15(18)19/h3-7,9H,2,8H2,1H3,(H,18,19).
What are the key properties of 4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 286.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 43664492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).