4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile

C8H7ClN2O2S — CID 130580647

IUPAC4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(OC2CCOC2)nc1Cl
InChIInChI=1S/C8H7ClN2O2S/c9-7-6(3-10)14-8(11-7)13-5-1-2-12-4-5/h5H,1-2,4H2
InChIKeyKYDVLPZDOBHQAZ-UHFFFAOYSA-N
MW230.68 g/mol
LogP1.84
Rot. Bonds2

About 4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile

4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile (PubChem CID 130580647) has the molecular formula C8H7ClN2O2S and a molecular weight of 230.68 g/mol. Its IUPAC name is 4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile
PubChem CID130580647
Molecular FormulaC8H7ClN2O2S
Molecular Weight230.68 g/mol
Exact Mass229.99
IUPAC Name4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(OC2CCOC2)nc1Cl
InChIInChI=1S/C8H7ClN2O2S/c9-7-6(3-10)14-8(11-7)13-5-1-2-12-4-5/h5H,1-2,4H2
InChIKeyKYDVLPZDOBHQAZ-UHFFFAOYSA-N
XLogP1.84
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile (CID 130580647) is 4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile is N#Cc1sc(OC2CCOC2)nc1Cl.
What is the InChIKey of 4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile?
The InChIKey is KYDVLPZDOBHQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2S/c9-7-6(3-10)14-8(11-7)13-5-1-2-12-4-5/h5H,1-2,4H2.
What are the key properties of 4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile?
4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile has a molecular weight of 230.68 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(oxolan-3-yloxy)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 130580647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).