ethane;3-methyl-1,2-thiazole-5-carbonitrile

C7H10N2S — CID 142404190

IUPACethane;3-methyl-1,2-thiazole-5-carbonitrile
SMILESCC.Cc1cc(C#N)sn1
InChIInChI=1S/C5H4N2S.C2H6/c1-4-2-5(3-6)8-7-4;1-2/h2H,1H3;1-2H3
InChIKeyIANMWNMSUKDQQG-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.35
Rot. Bonds

About ethane;3-methyl-1,2-thiazole-5-carbonitrile

ethane;3-methyl-1,2-thiazole-5-carbonitrile (PubChem CID 142404190) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is ethane;3-methyl-1,2-thiazole-5-carbonitrile.

Molecular Properties

Compound Nameethane;3-methyl-1,2-thiazole-5-carbonitrile
PubChem CID142404190
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Nameethane;3-methyl-1,2-thiazole-5-carbonitrile
SMILESCC.Cc1cc(C#N)sn1
InChIInChI=1S/C5H4N2S.C2H6/c1-4-2-5(3-6)8-7-4;1-2/h2H,1H3;1-2H3
InChIKeyIANMWNMSUKDQQG-UHFFFAOYSA-N
XLogP2.35
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2-thiazole-5-carbonitrile?
The IUPAC name of ethane;3-methyl-1,2-thiazole-5-carbonitrile (CID 142404190) is ethane;3-methyl-1,2-thiazole-5-carbonitrile.
What is the SMILES notation for ethane;3-methyl-1,2-thiazole-5-carbonitrile?
The canonical SMILES for ethane;3-methyl-1,2-thiazole-5-carbonitrile is CC.Cc1cc(C#N)sn1.
What is the InChIKey of ethane;3-methyl-1,2-thiazole-5-carbonitrile?
The InChIKey is IANMWNMSUKDQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S.C2H6/c1-4-2-5(3-6)8-7-4;1-2/h2H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1,2-thiazole-5-carbonitrile?
ethane;3-methyl-1,2-thiazole-5-carbonitrile has a molecular weight of 154.24 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2-thiazole-5-carbonitrile is sourced from PubChem (CID 142404190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).