methane;2-methyl-1,3-thiazole-5-carbonitrile;propane

C9H16N2S — CID 142565775

IUPACmethane;2-methyl-1,3-thiazole-5-carbonitrile;propane
SMILESC.CCC.Cc1ncc(C#N)s1
InChIInChI=1S/C5H4N2S.C3H8.CH4/c1-4-7-3-5(2-6)8-4;1-3-2;/h3H,1H3;3H2,1-2H3;1H4
InChIKeyDXFNAOHUMYMNJM-UHFFFAOYSA-N
MW184.31 g/mol
LogP3.38
Rot. Bonds

About methane;2-methyl-1,3-thiazole-5-carbonitrile;propane

methane;2-methyl-1,3-thiazole-5-carbonitrile;propane (PubChem CID 142565775) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is methane;2-methyl-1,3-thiazole-5-carbonitrile;propane.

Molecular Properties

Compound Namemethane;2-methyl-1,3-thiazole-5-carbonitrile;propane
PubChem CID142565775
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Namemethane;2-methyl-1,3-thiazole-5-carbonitrile;propane
SMILESC.CCC.Cc1ncc(C#N)s1
InChIInChI=1S/C5H4N2S.C3H8.CH4/c1-4-7-3-5(2-6)8-4;1-3-2;/h3H,1H3;3H2,1-2H3;1H4
InChIKeyDXFNAOHUMYMNJM-UHFFFAOYSA-N
XLogP3.38
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-1,3-thiazole-5-carbonitrile;propane?
The IUPAC name of methane;2-methyl-1,3-thiazole-5-carbonitrile;propane (CID 142565775) is methane;2-methyl-1,3-thiazole-5-carbonitrile;propane.
What is the SMILES notation for methane;2-methyl-1,3-thiazole-5-carbonitrile;propane?
The canonical SMILES for methane;2-methyl-1,3-thiazole-5-carbonitrile;propane is C.CCC.Cc1ncc(C#N)s1.
What is the InChIKey of methane;2-methyl-1,3-thiazole-5-carbonitrile;propane?
The InChIKey is DXFNAOHUMYMNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S.C3H8.CH4/c1-4-7-3-5(2-6)8-4;1-3-2;/h3H,1H3;3H2,1-2H3;1H4.
What are the key properties of methane;2-methyl-1,3-thiazole-5-carbonitrile;propane?
methane;2-methyl-1,3-thiazole-5-carbonitrile;propane has a molecular weight of 184.31 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-1,3-thiazole-5-carbonitrile;propane is sourced from PubChem (CID 142565775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).