1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile

C9H10N2S — CID 116890940

IUPAC1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile
SMILESCc1nc(C2(C#N)CCC2)cs1
InChIInChI=1S/C9H10N2S/c1-7-11-8(5-12-7)9(6-10)3-2-4-9/h5H,2-4H2,1H3
InChIKeyHMUDYZCXZLUCHQ-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.40
Rot. Bonds1

About 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile

1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile (PubChem CID 116890940) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile
PubChem CID116890940
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile
SMILESCc1nc(C2(C#N)CCC2)cs1
InChIInChI=1S/C9H10N2S/c1-7-11-8(5-12-7)9(6-10)3-2-4-9/h5H,2-4H2,1H3
InChIKeyHMUDYZCXZLUCHQ-UHFFFAOYSA-N
XLogP2.40
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile (CID 116890940) is 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile is Cc1nc(C2(C#N)CCC2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile?
The InChIKey is HMUDYZCXZLUCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-7-11-8(5-12-7)9(6-10)3-2-4-9/h5H,2-4H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile?
1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile has a molecular weight of 178.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 116890940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).