2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane

C10H17N3S — CID 66217524

IUPAC2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane
SMILESCC(C)n1cncc1C1NCCCS1
InChIInChI=1S/C10H17N3S/c1-8(2)13-7-11-6-9(13)10-12-4-3-5-14-10/h6-8,10,12H,3-5H2,1-2H3
InChIKeyCNEKXPBBUWKSPN-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.19
Rot. Bonds2

About 2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane

2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane (PubChem CID 66217524) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane.

Molecular Properties

Compound Name2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane
PubChem CID66217524
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane
SMILESCC(C)n1cncc1C1NCCCS1
InChIInChI=1S/C10H17N3S/c1-8(2)13-7-11-6-9(13)10-12-4-3-5-14-10/h6-8,10,12H,3-5H2,1-2H3
InChIKeyCNEKXPBBUWKSPN-UHFFFAOYSA-N
XLogP2.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane?
The IUPAC name of 2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane (CID 66217524) is 2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane.
What is the SMILES notation for 2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane?
The canonical SMILES for 2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane is CC(C)n1cncc1C1NCCCS1.
What is the InChIKey of 2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane?
The InChIKey is CNEKXPBBUWKSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8(2)13-7-11-6-9(13)10-12-4-3-5-14-10/h6-8,10,12H,3-5H2,1-2H3.
What are the key properties of 2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane?
2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane has a molecular weight of 211.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazinane is sourced from PubChem (CID 66217524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).