3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile

C12H10N2OS — CID 55220678

IUPAC3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile
SMILESCOCc1nc(-c2cccc(C#N)c2)cs1
InChIInChI=1S/C12H10N2OS/c1-15-7-12-14-11(8-16-12)10-4-2-3-9(5-10)6-13/h2-5,8H,7H2,1H3
InChIKeyIMBZZLXHMRCBTF-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.83
Rot. Bonds3

About 3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile

3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 55220678) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile
PubChem CID55220678
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile
SMILESCOCc1nc(-c2cccc(C#N)c2)cs1
InChIInChI=1S/C12H10N2OS/c1-15-7-12-14-11(8-16-12)10-4-2-3-9(5-10)6-13/h2-5,8H,7H2,1H3
InChIKeyIMBZZLXHMRCBTF-UHFFFAOYSA-N
XLogP2.83
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(ethylaminomethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63990527
3-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152380
3-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 63990563
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
3-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]benzonitrile
CID 116732250
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152333
3-[2-(2-aminobutan-2-yl)-1,3-thiazol-4-yl]benzonitrile
CID 63992519
N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110374780
3-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]benzonitrile
CID 81495135
3-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
CID 82733378
methane;N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine;3-propan-2-ylbenzonitrile;yttrium
CID 158567612
N-(3-cyanophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 110428502

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile (CID 55220678) is 3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile is COCc1nc(-c2cccc(C#N)c2)cs1.
What is the InChIKey of 3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is IMBZZLXHMRCBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-15-7-12-14-11(8-16-12)10-4-2-3-9(5-10)6-13/h2-5,8H,7H2,1H3.
What are the key properties of 3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile?
3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 230.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 55220678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).