[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone

C16H14N4O2S2 — CID 58416235

IUPAC[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCc1nc(-c2cccnc2)sc1-c1nc(C(=O)N2CCCO2)cs1
InChIInChI=1S/C16H14N4O2S2/c1-10-13(24-14(18-10)11-4-2-5-17-8-11)15-19-12(9-23-15)16(21)20-6-3-7-22-20/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyZPMNLIZYEZCKQD-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.41
Rot. Bonds3

About [2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone

[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 58416235) has the molecular formula C16H14N4O2S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is [2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID58416235
Molecular FormulaC16H14N4O2S2
Molecular Weight358.45 g/mol
Exact Mass358.06
IUPAC Name[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCc1nc(-c2cccnc2)sc1-c1nc(C(=O)N2CCCO2)cs1
InChIInChI=1S/C16H14N4O2S2/c1-10-13(24-14(18-10)11-4-2-5-17-8-11)15-19-12(9-23-15)16(21)20-6-3-7-22-20/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyZPMNLIZYEZCKQD-UHFFFAOYSA-N
XLogP3.41
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone (CID 58416235) is [2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone is Cc1nc(-c2cccnc2)sc1-c1nc(C(=O)N2CCCO2)cs1.
What is the InChIKey of [2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is ZPMNLIZYEZCKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S2/c1-10-13(24-14(18-10)11-4-2-5-17-8-11)15-19-12(9-23-15)16(21)20-6-3-7-22-20/h2,4-5,8-9H,3,6-7H2,1H3.
What are the key properties of [2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone?
[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 358.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 58416235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).