2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

C17H16N2O2S — CID 22689403

IUPAC2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2c(C3CC3)n(C)c3ccccc23)sc1C(=O)O
InChIInChI=1S/C17H16N2O2S/c1-9-15(17(20)21)22-16(18-9)13-11-5-3-4-6-12(11)19(2)14(13)10-7-8-10/h3-6,10H,7-8H2,1-2H3,(H,20,21)
InChIKeyDFWJOPARCAVPBZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.19
Rot. Bonds3

About 2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 22689403) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID22689403
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2c(C3CC3)n(C)c3ccccc23)sc1C(=O)O
InChIInChI=1S/C17H16N2O2S/c1-9-15(17(20)21)22-16(18-9)13-11-5-3-4-6-12(11)19(2)14(13)10-7-8-10/h3-6,10H,7-8H2,1-2H3,(H,20,21)
InChIKeyDFWJOPARCAVPBZ-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 22689403) is 2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2c(C3CC3)n(C)c3ccccc23)sc1C(=O)O.
What is the InChIKey of 2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DFWJOPARCAVPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-9-15(17(20)21)22-16(18-9)13-11-5-3-4-6-12(11)19(2)14(13)10-7-8-10/h3-6,10H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-1-methylindol-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 22689403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).