2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile

C10H12N2OS — CID 103988046

IUPAC2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile
SMILESN#CCc1csc(CC2CCOC2)n1
InChIInChI=1S/C10H12N2OS/c11-3-1-9-7-14-10(12-9)5-8-2-4-13-6-8/h7-8H,1-2,4-6H2
InChIKeySWAIPGBCDWRRCS-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.79
Rot. Bonds3

About 2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile

2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile (PubChem CID 103988046) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile
PubChem CID103988046
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile
SMILESN#CCc1csc(CC2CCOC2)n1
InChIInChI=1S/C10H12N2OS/c11-3-1-9-7-14-10(12-9)5-8-2-4-13-6-8/h7-8H,1-2,4-6H2
InChIKeySWAIPGBCDWRRCS-UHFFFAOYSA-N
XLogP1.79
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 103987716
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115087995
1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088149
2-[5-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-3-yl]acetonitrile
CID 103988229
methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate
CID 103985943
2-(2-propyl-1,3-thiazol-4-yl)acetonitrile
CID 62929491
5-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 113361992
4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid
CID 103988069
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]acetonitrile
CID 82515340
2-[2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetonitrile
CID 82515543
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 103987689
[4-methyl-2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 103987924

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile?
The IUPAC name of 2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile (CID 103988046) is 2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile?
The canonical SMILES for 2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile is N#CCc1csc(CC2CCOC2)n1.
What is the InChIKey of 2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile?
The InChIKey is SWAIPGBCDWRRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-3-1-9-7-14-10(12-9)5-8-2-4-13-6-8/h7-8H,1-2,4-6H2.
What are the key properties of 2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile?
2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile has a molecular weight of 208.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile is sourced from PubChem (CID 103988046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).