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

C11H16ClNO2S — CID 18998778

IUPAC2-chloro-5-(4-methoxy-2,2-dimethyloxan-4-yl)-1,3-thiazole
SMILESCOC1(c2cnc(Cl)s2)CCOC(C)(C)C1
InChIInChI=1S/C11H16ClNO2S/c1-10(2)7-11(14-3,4-5-15-10)8-6-13-9(12)16-8/h6H,4-5,7H2,1-3H3
InChIKeyHRBYPLDZWZEBDW-UHFFFAOYSA-N
MW261.77 g/mol
LogP3.23
Rot. Bonds2

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

2-chloro-5-(4-methoxy-2,2-dimethyloxan-4-yl)-1,3-thiazole (PubChem CID 18998778) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 2-chloro-5-(4-methoxy-2,2-dimethyloxan-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(4-methoxy-2,2-dimethyloxan-4-yl)-1,3-thiazole
PubChem CID18998778
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name2-chloro-5-(4-methoxy-2,2-dimethyloxan-4-yl)-1,3-thiazole
SMILESCOC1(c2cnc(Cl)s2)CCOC(C)(C)C1
InChIInChI=1S/C11H16ClNO2S/c1-10(2)7-11(14-3,4-5-15-10)8-6-13-9(12)16-8/h6H,4-5,7H2,1-3H3
InChIKeyHRBYPLDZWZEBDW-UHFFFAOYSA-N
XLogP3.23
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 53.23
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-2,2-dimethyloxan-4-yl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(4-methoxy-2,2-dimethyloxan-4-yl)-1,3-thiazole (CID 18998778) is 2-chloro-5-(4-methoxy-2,2-dimethyloxan-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(4-methoxy-2,2-dimethyloxan-4-yl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(4-methoxy-2,2-dimethyloxan-4-yl)-1,3-thiazole is COC1(c2cnc(Cl)s2)CCOC(C)(C)C1.
What is the InChIKey of 2-chloro-5-(4-methoxy-2,2-dimethyloxan-4-yl)-1,3-thiazole?
The InChIKey is HRBYPLDZWZEBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-10(2)7-11(14-3,4-5-15-10)8-6-13-9(12)16-8/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-chloro-5-(4-methoxy-2,2-dimethyloxan-4-yl)-1,3-thiazole?
2-chloro-5-(4-methoxy-2,2-dimethyloxan-4-yl)-1,3-thiazole has a molecular weight of 261.77 g/mol, XLogP of 3.23, 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-2,2-dimethyloxan-4-yl)-1,3-thiazole is sourced from PubChem (CID 18998778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).