7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid

C15H12N4O2S — CID 135333882

IUPAC7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid
SMILESC[C@H]1Cc2ccccc2N1c1ncnc2sc(C(=O)O)nc12
InChIInChI=1S/C15H12N4O2S/c1-8-6-9-4-2-3-5-10(9)19(8)12-11-13(17-7-16-12)22-14(18-11)15(20)21/h2-5,7-8H,6H2,1H3,(H,20,21)/t8-/m0/s1
InChIKeyFJQNUDLMJCOWBN-QMMMGPOBSA-N
MW312.35 g/mol
LogP2.87
Rot. Bonds2

About 7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid

7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid (PubChem CID 135333882) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid
PubChem CID135333882
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid
SMILESC[C@H]1Cc2ccccc2N1c1ncnc2sc(C(=O)O)nc12
InChIInChI=1S/C15H12N4O2S/c1-8-6-9-4-2-3-5-10(9)19(8)12-11-13(17-7-16-12)22-14(18-11)15(20)21/h2-5,7-8H,6H2,1H3,(H,20,21)/t8-/m0/s1
InChIKeyFJQNUDLMJCOWBN-QMMMGPOBSA-N
XLogP2.87
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid (CID 135333882) is 7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid is C[C@H]1Cc2ccccc2N1c1ncnc2sc(C(=O)O)nc12.
What is the InChIKey of 7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
The InChIKey is FJQNUDLMJCOWBN-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-8-6-9-4-2-3-5-10(9)19(8)12-11-13(17-7-16-12)22-14(18-11)15(20)21/h2-5,7-8H,6H2,1H3,(H,20,21)/t8-/m0/s1.
What are the key properties of 7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 135333882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).