4-chloro-2-prop-2-ynoxy-1,3-thiazole

C6H4ClNOS — CID 83152143

IUPAC4-chloro-2-prop-2-ynoxy-1,3-thiazole
SMILESC#CCOc1nc(Cl)cs1
InChIInChI=1S/C6H4ClNOS/c1-2-3-9-6-8-5(7)4-10-6/h1,4H,3H2
InChIKeyQCGCDWDHOFLRFK-UHFFFAOYSA-N
MW173.62 g/mol
LogP1.81
Rot. Bonds2

About 4-chloro-2-prop-2-ynoxy-1,3-thiazole

4-chloro-2-prop-2-ynoxy-1,3-thiazole (PubChem CID 83152143) has the molecular formula C6H4ClNOS and a molecular weight of 173.62 g/mol. Its IUPAC name is 4-chloro-2-prop-2-ynoxy-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-prop-2-ynoxy-1,3-thiazole
PubChem CID83152143
Molecular FormulaC6H4ClNOS
Molecular Weight173.62 g/mol
Exact Mass172.97
IUPAC Name4-chloro-2-prop-2-ynoxy-1,3-thiazole
SMILESC#CCOc1nc(Cl)cs1
InChIInChI=1S/C6H4ClNOS/c1-2-3-9-6-8-5(7)4-10-6/h1,4H,3H2
InChIKeyQCGCDWDHOFLRFK-UHFFFAOYSA-N
XLogP1.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-2-methoxythiazole
CID 83157293
4-Chloro-2-ethoxy-1,3-thiazole
CID 83157294
4-Chloro-2-ethynyl-1,3-thiazole
CID 145913421
4-Chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole
CID 83152026
4-Chloro-2-(2,2-difluoroethoxy)-1,3-thiazole
CID 83152988
4-Chloro-2-(4,4,4-trifluorobutoxy)-1,3-thiazole
CID 83153108
4-Chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
CID 83153347
4-Chloro-2-(3,3,3-trifluoropropoxy)-1,3-thiazole
CID 83153349
4-Chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 83153453
4-Chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole
CID 83153589
4-Chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole
CID 102722084
CID 57424759
CID 57424759

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-prop-2-ynoxy-1,3-thiazole?
The IUPAC name of 4-chloro-2-prop-2-ynoxy-1,3-thiazole (CID 83152143) is 4-chloro-2-prop-2-ynoxy-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-prop-2-ynoxy-1,3-thiazole?
The canonical SMILES for 4-chloro-2-prop-2-ynoxy-1,3-thiazole is C#CCOc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-prop-2-ynoxy-1,3-thiazole?
The InChIKey is QCGCDWDHOFLRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNOS/c1-2-3-9-6-8-5(7)4-10-6/h1,4H,3H2.
What are the key properties of 4-chloro-2-prop-2-ynoxy-1,3-thiazole?
4-chloro-2-prop-2-ynoxy-1,3-thiazole has a molecular weight of 173.62 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-prop-2-ynoxy-1,3-thiazole is sourced from PubChem (CID 83152143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).