4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile

C11H14N2OS — CID 65379356

IUPAC4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile
SMILESCc1ncc(CC2(C#N)CCOCC2)s1
InChIInChI=1S/C11H14N2OS/c1-9-13-7-10(15-9)6-11(8-12)2-4-14-5-3-11/h7H,2-6H2,1H3
InChIKeyXZRIMMGJONNEMM-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.31
Rot. Bonds2

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

4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile (PubChem CID 65379356) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile
PubChem CID65379356
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile
SMILESCc1ncc(CC2(C#N)CCOCC2)s1
InChIInChI=1S/C11H14N2OS/c1-9-13-7-10(15-9)6-11(8-12)2-4-14-5-3-11/h7H,2-6H2,1H3
InChIKeyXZRIMMGJONNEMM-UHFFFAOYSA-N
XLogP2.31
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile
CID 65376598
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65425025
[4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol
CID 66025414
4-[(2,4,6-trimethylphenyl)methyl]oxane-4-carbonitrile
CID 65395205
5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole
CID 170152111
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 113310210
5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole
CID 66036030
4-(1,3-benzothiazol-2-ylmethyl)oxane-4-carbonitrile
CID 104632304
4-[(1-methyltriazol-4-yl)methyl]oxane-4-carbonitrile
CID 107057305
1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde
CID 131054121
5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786
2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole
CID 104688040

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile (CID 65379356) is 4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile is Cc1ncc(CC2(C#N)CCOCC2)s1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile?
The InChIKey is XZRIMMGJONNEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-9-13-7-10(15-9)6-11(8-12)2-4-14-5-3-11/h7H,2-6H2,1H3.
What are the key properties of 4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile?
4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile has a molecular weight of 222.31 g/mol, XLogP of 2.31, 2 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-5-yl)methyl]oxane-4-carbonitrile is sourced from PubChem (CID 65379356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).