propyl 3-chloro-1,2-thiazole-5-carboxylate

C7H8ClNO2S — CID 150025641

IUPACpropyl 3-chloro-1,2-thiazole-5-carboxylate
SMILESCCCOC(=O)c1cc(Cl)ns1
InChIInChI=1S/C7H8ClNO2S/c1-2-3-11-7(10)5-4-6(8)9-12-5/h4H,2-3H2,1H3
InChIKeyDGEHEYLEKFYGHP-UHFFFAOYSA-N
MW205.67 g/mol
LogP2.36
Rot. Bonds3

About propyl 3-chloro-1,2-thiazole-5-carboxylate

propyl 3-chloro-1,2-thiazole-5-carboxylate (PubChem CID 150025641) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is propyl 3-chloro-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Namepropyl 3-chloro-1,2-thiazole-5-carboxylate
PubChem CID150025641
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Namepropyl 3-chloro-1,2-thiazole-5-carboxylate
SMILESCCCOC(=O)c1cc(Cl)ns1
InChIInChI=1S/C7H8ClNO2S/c1-2-3-11-7(10)5-4-6(8)9-12-5/h4H,2-3H2,1H3
InChIKeyDGEHEYLEKFYGHP-UHFFFAOYSA-N
XLogP2.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-ethoxy-1,2-thiazole-5-carboxamide
CID 130702489
propyl 2-chloropyridine-4-carboxylate
CID 24723709
propyl 4,5-dichloro-1H-pyrrole-2-carboxylate
CID 78846725
5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid
CID 117218324
propyl 2,5-dichlorobenzoate
CID 43389536
[C-(3-chloro-1,2-thiazol-5-yl)-N-cyclopropylcarbonimidoyl] propanoate
CID 142921900
propyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 103881060
propyl 4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434668
3-chloro-N-(2-hydroxyethyl)-1,2-thiazole-5-carboxamide
CID 130804739
propyl 2,3,5-trichlorobenzoate
CID 22448170
propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 112723364
3-chloro-5-ethyl-1,2-thiazole
CID 83905015

Frequently Asked Questions

What is the IUPAC name of propyl 3-chloro-1,2-thiazole-5-carboxylate?
The IUPAC name of propyl 3-chloro-1,2-thiazole-5-carboxylate (CID 150025641) is propyl 3-chloro-1,2-thiazole-5-carboxylate.
What is the SMILES notation for propyl 3-chloro-1,2-thiazole-5-carboxylate?
The canonical SMILES for propyl 3-chloro-1,2-thiazole-5-carboxylate is CCCOC(=O)c1cc(Cl)ns1.
What is the InChIKey of propyl 3-chloro-1,2-thiazole-5-carboxylate?
The InChIKey is DGEHEYLEKFYGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-2-3-11-7(10)5-4-6(8)9-12-5/h4H,2-3H2,1H3.
What are the key properties of propyl 3-chloro-1,2-thiazole-5-carboxylate?
propyl 3-chloro-1,2-thiazole-5-carboxylate has a molecular weight of 205.67 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-chloro-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 150025641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).