4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one

C10H18N2OS — CID 13117708

IUPAC4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one
SMILESCC(C)NC1SC=CN(C(C)C)C1=O
InChIInChI=1S/C10H18N2OS/c1-7(2)11-9-10(13)12(8(3)4)5-6-14-9/h5-9,11H,1-4H3
InChIKeyPUESITSBLBCCHX-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.77
Rot. Bonds3

About 4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one

4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one (PubChem CID 13117708) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one.

Molecular Properties

Compound Name4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one
PubChem CID13117708
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one
SMILESCC(C)NC1SC=CN(C(C)C)C1=O
InChIInChI=1S/C10H18N2OS/c1-7(2)11-9-10(13)12(8(3)4)5-6-14-9/h5-9,11H,1-4H3
InChIKeyPUESITSBLBCCHX-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one?
The IUPAC name of 4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one (CID 13117708) is 4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one.
What is the SMILES notation for 4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one?
The canonical SMILES for 4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one is CC(C)NC1SC=CN(C(C)C)C1=O.
What is the InChIKey of 4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one?
The InChIKey is PUESITSBLBCCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(2)11-9-10(13)12(8(3)4)5-6-14-9/h5-9,11H,1-4H3.
What are the key properties of 4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one?
4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one has a molecular weight of 214.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(propan-2-ylamino)-1,4-thiazin-3-one is sourced from PubChem (CID 13117708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).