2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole

C10H14ClNO2S — CID 140969926

IUPAC2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole
SMILESCOC1CCOC(C)(c2cnc(Cl)s2)C1
InChIInChI=1S/C10H14ClNO2S/c1-10(8-6-12-9(11)15-8)5-7(13-2)3-4-14-10/h6-7H,3-5H2,1-2H3
InChIKeyUDGIHOVZVYNZED-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.84
Rot. Bonds2

About 2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole

2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole (PubChem CID 140969926) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole
PubChem CID140969926
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole
SMILESCOC1CCOC(C)(c2cnc(Cl)s2)C1
InChIInChI=1S/C10H14ClNO2S/c1-10(8-6-12-9(11)15-8)5-7(13-2)3-4-14-10/h6-7H,3-5H2,1-2H3
InChIKeyUDGIHOVZVYNZED-UHFFFAOYSA-N
XLogP2.84
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole (CID 140969926) is 2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole is COC1CCOC(C)(c2cnc(Cl)s2)C1.
What is the InChIKey of 2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole?
The InChIKey is UDGIHOVZVYNZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-10(8-6-12-9(11)15-8)5-7(13-2)3-4-14-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole?
2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole has a molecular weight of 247.75 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methoxy-2-methyloxan-2-yl)-1,3-thiazole is sourced from PubChem (CID 140969926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).