3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile

C14H12N2OS — CID 116967071

IUPAC3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile
SMILESCc1ccccc1-c1csc(C2(C#N)COC2)n1
InChIInChI=1S/C14H12N2OS/c1-10-4-2-3-5-11(10)12-6-18-13(16-12)14(7-15)8-17-9-14/h2-6H,8-9H2,1H3
InChIKeyYMMPNOTWMOHEET-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.91
Rot. Bonds2

About 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile

3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile (PubChem CID 116967071) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile
PubChem CID116967071
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile
SMILESCc1ccccc1-c1csc(C2(C#N)COC2)n1
InChIInChI=1S/C14H12N2OS/c1-10-4-2-3-5-11(10)12-6-18-13(16-12)14(7-15)8-17-9-14/h2-6H,8-9H2,1H3
InChIKeyYMMPNOTWMOHEET-UHFFFAOYSA-N
XLogP2.91
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile
CID 116967083
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile
CID 116967076
1-[4-(2-bromophenyl)-1,3-thiazol-2-yl]cyclobutane-1-carbonitrile
CID 116865572
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol
CID 116966687
4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 55084434
N-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4984856
[4-(2-methylphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 53275090
diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium
CID 7176101
2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 122136210
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 3962693
6-(2-methylphenyl)pyridine-2-carbonitrile
CID 55265377
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 75921279

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile?
The IUPAC name of 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile (CID 116967071) is 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile is Cc1ccccc1-c1csc(C2(C#N)COC2)n1.
What is the InChIKey of 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile?
The InChIKey is YMMPNOTWMOHEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-10-4-2-3-5-11(10)12-6-18-13(16-12)14(7-15)8-17-9-14/h2-6H,8-9H2,1H3.
What are the key properties of 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile?
3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile has a molecular weight of 256.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxetane-3-carbonitrile is sourced from PubChem (CID 116967071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).