(2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone

C10H13NO2S — CID 83688993

IUPAC(2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone
SMILESCc1nc(C(=O)C2CCOCC2)cs1
InChIInChI=1S/C10H13NO2S/c1-7-11-9(6-14-7)10(12)8-2-4-13-5-3-8/h6,8H,2-5H2,1H3
InChIKeyKIFIRSHHDKRIBV-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.06
Rot. Bonds2

About (2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone

(2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone (PubChem CID 83688993) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone
PubChem CID83688993
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone
SMILESCc1nc(C(=O)C2CCOCC2)cs1
InChIInChI=1S/C10H13NO2S/c1-7-11-9(6-14-7)10(12)8-2-4-13-5-3-8/h6,8H,2-5H2,1H3
InChIKeyKIFIRSHHDKRIBV-UHFFFAOYSA-N
XLogP2.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone (CID 83688993) is (2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone is Cc1nc(C(=O)C2CCOCC2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone?
The InChIKey is KIFIRSHHDKRIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-11-9(6-14-7)10(12)8-2-4-13-5-3-8/h6,8H,2-5H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone?
(2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone has a molecular weight of 211.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 83688993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).