4-chloro-2-propan-2-yloxy-1,3-thiazole

C6H8ClNOS — CID 83152374

IUPAC4-chloro-2-propan-2-yloxy-1,3-thiazole
SMILESCC(C)Oc1nc(Cl)cs1
InChIInChI=1S/C6H8ClNOS/c1-4(2)9-6-8-5(7)3-10-6/h3-4H,1-2H3
InChIKeyCUVHDOYASWWCFI-UHFFFAOYSA-N
MW177.66 g/mol
LogP2.58
Rot. Bonds2

About 4-chloro-2-propan-2-yloxy-1,3-thiazole

4-chloro-2-propan-2-yloxy-1,3-thiazole (PubChem CID 83152374) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yloxy-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-propan-2-yloxy-1,3-thiazole
PubChem CID83152374
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name4-chloro-2-propan-2-yloxy-1,3-thiazole
SMILESCC(C)Oc1nc(Cl)cs1
InChIInChI=1S/C6H8ClNOS/c1-4(2)9-6-8-5(7)3-10-6/h3-4H,1-2H3
InChIKeyCUVHDOYASWWCFI-UHFFFAOYSA-N
XLogP2.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yloxy-1,3-thiazole?
The IUPAC name of 4-chloro-2-propan-2-yloxy-1,3-thiazole (CID 83152374) is 4-chloro-2-propan-2-yloxy-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-propan-2-yloxy-1,3-thiazole?
The canonical SMILES for 4-chloro-2-propan-2-yloxy-1,3-thiazole is CC(C)Oc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-propan-2-yloxy-1,3-thiazole?
The InChIKey is CUVHDOYASWWCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS/c1-4(2)9-6-8-5(7)3-10-6/h3-4H,1-2H3.
What are the key properties of 4-chloro-2-propan-2-yloxy-1,3-thiazole?
4-chloro-2-propan-2-yloxy-1,3-thiazole has a molecular weight of 177.66 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yloxy-1,3-thiazole is sourced from PubChem (CID 83152374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).