2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile

C13H14N4OS — CID 106524568

IUPAC2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
SMILESCc1csc(Cc2noc(C3C(C#N)C3(C)C)n2)n1
InChIInChI=1S/C13H14N4OS/c1-7-6-19-10(15-7)4-9-16-12(18-17-9)11-8(5-14)13(11,2)3/h6,8,11H,4H2,1-3H3
InChIKeyVAYRHAQMXFWMPG-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.69
Rot. Bonds3

About 2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile

2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile (PubChem CID 106524568) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
PubChem CID106524568
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
SMILESCc1csc(Cc2noc(C3C(C#N)C3(C)C)n2)n1
InChIInChI=1S/C13H14N4OS/c1-7-6-19-10(15-7)4-9-16-12(18-17-9)11-8(5-14)13(11,2)3/h6,8,11H,4H2,1-3H3
InChIKeyVAYRHAQMXFWMPG-UHFFFAOYSA-N
XLogP2.69
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile (CID 106524568) is 2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile is Cc1csc(Cc2noc(C3C(C#N)C3(C)C)n2)n1.
What is the InChIKey of 2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The InChIKey is VAYRHAQMXFWMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-7-6-19-10(15-7)4-9-16-12(18-17-9)11-8(5-14)13(11,2)3/h6,8,11H,4H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile has a molecular weight of 274.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 106524568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).