(2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

C12H11N3O2S — CID 6925144

IUPAC(2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCc1cc(N2C(=O)CS[C@H]2c2cccnc2)no1
InChIInChI=1S/C12H11N3O2S/c1-8-5-10(14-17-8)15-11(16)7-18-12(15)9-3-2-4-13-6-9/h2-6,12H,7H2,1H3/t12-/m0/s1
InChIKeyFJGNKWIWXZWLAA-LBPRGKRZSA-N
MW261.31 g/mol
LogP2.16
Rot. Bonds2

About (2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

(2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 6925144) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is (2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID6925144
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name(2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCc1cc(N2C(=O)CS[C@H]2c2cccnc2)no1
InChIInChI=1S/C12H11N3O2S/c1-8-5-10(14-17-8)15-11(16)7-18-12(15)9-3-2-4-13-6-9/h2-6,12H,7H2,1H3/t12-/m0/s1
InChIKeyFJGNKWIWXZWLAA-LBPRGKRZSA-N
XLogP2.16
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 6925144) is (2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is Cc1cc(N2C(=O)CS[C@H]2c2cccnc2)no1.
What is the InChIKey of (2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is FJGNKWIWXZWLAA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-8-5-10(14-17-8)15-11(16)7-18-12(15)9-3-2-4-13-6-9/h2-6,12H,7H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
(2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 261.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6925144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).