2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one

C9H10N2O2S — CID 10560388

IUPAC2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one
SMILESCC(C)Nc1nc2sccc2c(=O)o1
InChIInChI=1S/C9H10N2O2S/c1-5(2)10-9-11-7-6(3-4-14-7)8(12)13-9/h3-5H,1-2H3,(H,10,11)
InChIKeyMSGVUZLZWOKYJX-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.07
Rot. Bonds2

About 2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one

2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 10560388) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one
PubChem CID10560388
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one
SMILESCC(C)Nc1nc2sccc2c(=O)o1
InChIInChI=1S/C9H10N2O2S/c1-5(2)10-9-11-7-6(3-4-14-7)8(12)13-9/h3-5H,1-2H3,(H,10,11)
InChIKeyMSGVUZLZWOKYJX-UHFFFAOYSA-N
XLogP2.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one (CID 10560388) is 2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one is CC(C)Nc1nc2sccc2c(=O)o1.
What is the InChIKey of 2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is MSGVUZLZWOKYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-5(2)10-9-11-7-6(3-4-14-7)8(12)13-9/h3-5H,1-2H3,(H,10,11).
What are the key properties of 2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one?
2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 210.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 10560388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).