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

C12H10N2OS — CID 2806222

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
SMILESCc1nc(COc2ccc(C#N)cc2)cs1
InChIInChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)7-15-12-4-2-10(6-13)3-5-12/h2-5,8H,7H2,1H3
InChIKeyTZZWRROOAZYIBF-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.90
Rot. Bonds3

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

4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile (PubChem CID 2806222) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
PubChem CID2806222
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
SMILESCc1nc(COc2ccc(C#N)cc2)cs1
InChIInChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)7-15-12-4-2-10(6-13)3-5-12/h2-5,8H,7H2,1H3
InChIKeyTZZWRROOAZYIBF-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Methoxyphenylethynyl)-2-methylthiazole
CID 11564861
Thiazole, 4-(2-(2-methoxyphenyl)ethynyl)-2-methyl-
CID 11665793
4-[(2-Methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 4985772
4-[(4-Methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 3865674
2-[2-(4-Methylphenoxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 4980640
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)acetamide
CID 24714429
Ethyl 2-((4-(1,3-dithiolan-2-yl)phenoxy)methyl)thiazole-4-carboxylate
CID 2743916
4-((2-Methyl-1,3-thiazol-4-yl)methoxy)benzaldehyde
CID 4962841
N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 47014924
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine
CID 50955634
(5Z)-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 60165998
3-[3-[Methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propoxy]benzonitrile
CID 71968720

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile (CID 2806222) is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile is Cc1nc(COc2ccc(C#N)cc2)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile?
The InChIKey is TZZWRROOAZYIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)7-15-12-4-2-10(6-13)3-5-12/h2-5,8H,7H2,1H3.
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile?
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile has a molecular weight of 230.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile is sourced from PubChem (CID 2806222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).