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

C13H11N3S — CID 116890963

IUPAC1-(2-pyridin-4-yl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2csc(-c3ccncc3)n2)CCC1
InChIInChI=1S/C13H11N3S/c14-9-13(4-1-5-13)11-8-17-12(16-11)10-2-6-15-7-3-10/h2-3,6-8H,1,4-5H2
InChIKeyLETNEMHLDUNFII-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.15
Rot. Bonds2

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

1-(2-pyridin-4-yl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile (PubChem CID 116890963) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-pyridin-4-yl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile
PubChem CID116890963
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name1-(2-pyridin-4-yl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2csc(-c3ccncc3)n2)CCC1
InChIInChI=1S/C13H11N3S/c14-9-13(4-1-5-13)11-8-17-12(16-11)10-2-6-15-7-3-10/h2-3,6-8H,1,4-5H2
InChIKeyLETNEMHLDUNFII-UHFFFAOYSA-N
XLogP3.15
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile (CID 116890963) is 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile is N#CC1(c2csc(-c3ccncc3)n2)CCC1.
What is the InChIKey of 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile?
The InChIKey is LETNEMHLDUNFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c14-9-13(4-1-5-13)11-8-17-12(16-11)10-2-6-15-7-3-10/h2-3,6-8H,1,4-5H2.
What are the key properties of 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile?
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile has a molecular weight of 241.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 116890963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).