2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

C15H13ClN2O2S — CID 70221922

IUPAC2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCn1cc(Cl)c2cc(-c3nc(C)c(C(=O)O)s3)ccc21
InChIInChI=1S/C15H13ClN2O2S/c1-3-18-7-11(16)10-6-9(4-5-12(10)18)14-17-8(2)13(21-14)15(19)20/h4-7H,3H2,1-2H3,(H,19,20)
InChIKeyUDPVMPOFTYDXIH-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.44
Rot. Bonds3

About 2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 70221922) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID70221922
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCn1cc(Cl)c2cc(-c3nc(C)c(C(=O)O)s3)ccc21
InChIInChI=1S/C15H13ClN2O2S/c1-3-18-7-11(16)10-6-9(4-5-12(10)18)14-17-8(2)13(21-14)15(19)20/h4-7H,3H2,1-2H3,(H,19,20)
InChIKeyUDPVMPOFTYDXIH-UHFFFAOYSA-N
XLogP4.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Cyano-1-propan-2-ylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46853752
2-[3-Chloro-2-methyl-1-(2-methylpropyl)indol-5-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46896506
2-[3-Cyano-1-(2-methylpropyl)indol-5-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46896604
2-[3-Cyano-1-[(2,4-difluorophenyl)methyl]indol-5-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46896703
2-(1-Benzyl-3-cyanoindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46896707
2-[3-Cyano-1-(1-hydroxypropan-2-yl)indol-5-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46896907
2-[3-Cyano-1-(1-fluoropropan-2-yl)indol-5-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46896909
4-Methyl-2-[1-(2-methylpropyl)indol-5-yl]-1,3-thiazole-5-carboxylic acid
CID 46897184
2-[3-Chloro-1-(2-methylpropyl)indol-5-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46897185
2-(3-Chloro-1-propan-2-ylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46897186
2-[3-Cyano-1-(2-methylsulfonylethyl)indol-5-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46897282
2-[1-(2-Acetamidoethyl)-3-cyanoindol-5-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46897376

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 70221922) is 2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is CCn1cc(Cl)c2cc(-c3nc(C)c(C(=O)O)s3)ccc21.
What is the InChIKey of 2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is UDPVMPOFTYDXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-3-18-7-11(16)10-6-9(4-5-12(10)18)14-17-8(2)13(21-14)15(19)20/h4-7H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 320.80 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 70221922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).