(7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid

C15H16N2O2S — CID 155320964

IUPAC(7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid
SMILESCC1([C@H]2CCc3nc4sc(C(=O)O)nc4cc3C2)CC1
InChIInChI=1S/C15H16N2O2S/c1-15(4-5-15)9-2-3-10-8(6-9)7-11-12(16-10)20-13(17-11)14(18)19/h7,9H,2-6H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyKSBMZPFRLFTGBO-VIFPVBQESA-N
MW288.37 g/mol
LogP3.29
Rot. Bonds2

About (7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid

(7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid (PubChem CID 155320964) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name(7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid
PubChem CID155320964
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid
SMILESCC1([C@H]2CCc3nc4sc(C(=O)O)nc4cc3C2)CC1
InChIInChI=1S/C15H16N2O2S/c1-15(4-5-15)9-2-3-10-8(6-9)7-11-12(16-10)20-13(17-11)14(18)19/h7,9H,2-6H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyKSBMZPFRLFTGBO-VIFPVBQESA-N
XLogP3.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid?
The IUPAC name of (7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid (CID 155320964) is (7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid.
What is the SMILES notation for (7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid?
The canonical SMILES for (7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid is CC1([C@H]2CCc3nc4sc(C(=O)O)nc4cc3C2)CC1.
What is the InChIKey of (7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid?
The InChIKey is KSBMZPFRLFTGBO-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-15(4-5-15)9-2-3-10-8(6-9)7-11-12(16-10)20-13(17-11)14(18)19/h7,9H,2-6H2,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of (7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid?
(7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid is sourced from PubChem (CID 155320964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).