2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile

C6H6N2OS — CID 82651754

IUPAC2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile
SMILESCOc1nc(C)c(C#N)s1
InChIInChI=1S/C6H6N2OS/c1-4-5(3-7)10-6(8-4)9-2/h1-2H3
InChIKeyCFBSQXHXOCYPES-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.33
Rot. Bonds1

About 2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile

2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile (PubChem CID 82651754) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile
PubChem CID82651754
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile
SMILESCOc1nc(C)c(C#N)s1
InChIInChI=1S/C6H6N2OS/c1-4-5(3-7)10-6(8-4)9-2/h1-2H3
InChIKeyCFBSQXHXOCYPES-UHFFFAOYSA-N
XLogP1.33
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-cyano-4-methyl-1,3-thiazol-2-yl)oxy]acetamide
CID 139747139
2-(azepan-1-ylmethyl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 82427769
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile
CID 13144617
(2-methoxy-4-methyl-1,3-thiazol-5-yl)methylhydrazine
CID 53275224
4-chloro-2-ethoxy-1,3-thiazole-5-carbonitrile
CID 130580627
N'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide
CID 83876786
2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 82427290
2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile
CID 82426009
4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile
CID 82427633
2-[2-(azepan-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carbonitrile
CID 82427753
2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886180
N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide
CID 86191154

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile (CID 82651754) is 2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile is COc1nc(C)c(C#N)s1.
What is the InChIKey of 2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile?
The InChIKey is CFBSQXHXOCYPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c1-4-5(3-7)10-6(8-4)9-2/h1-2H3.
What are the key properties of 2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile?
2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile has a molecular weight of 154.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82651754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).