ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate

C7H8ClNO2S — CID 53302340

IUPACethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)sc1C
InChIInChI=1S/C7H8ClNO2S/c1-3-11-6(10)5-4(2)12-7(8)9-5/h3H2,1-2H3
InChIKeyHPTJVXQXCVATIH-UHFFFAOYSA-N
MW205.67 g/mol
LogP2.28
Rot. Bonds2

About ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate

ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 53302340) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID53302340
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Nameethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)sc1C
InChIInChI=1S/C7H8ClNO2S/c1-3-11-6(10)5-4(2)12-7(8)9-5/h3H2,1-2H3
InChIKeyHPTJVXQXCVATIH-UHFFFAOYSA-N
XLogP2.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-chloro-1,3-thiazole-4,5-dicarboxylate
CID 15009545
ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 122508431
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337
ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 116526179
ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527160
ethyl 2-(2-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527168
ethyl 2-(diaminomethylideneamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 23545949
ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate
CID 59208389
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527183
diethyl 3,4,5-trichloropyridine-2,6-dicarboxylate;ethane
CID 145166855
ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527156

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate (CID 53302340) is ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(Cl)sc1C.
What is the InChIKey of ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is HPTJVXQXCVATIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-3-11-6(10)5-4(2)12-7(8)9-5/h3H2,1-2H3.
What are the key properties of ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 205.67 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53302340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).