methyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate

C10H7ClN2O2S — CID 126482326

IUPACmethyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccn2)sc1Cl
InChIInChI=1S/C10H7ClN2O2S/c1-15-10(14)7-8(11)16-9(13-7)6-4-2-3-5-12-6/h2-5H,1H3
InChIKeyKRADRFPFOBXRBV-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.65
Rot. Bonds2

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

methyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 126482326) has the molecular formula C10H7ClN2O2S and a molecular weight of 254.70 g/mol. Its IUPAC name is methyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate
PubChem CID126482326
Molecular FormulaC10H7ClN2O2S
Molecular Weight254.70 g/mol
Exact Mass253.99
IUPAC Namemethyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccn2)sc1Cl
InChIInChI=1S/C10H7ClN2O2S/c1-15-10(14)7-8(11)16-9(13-7)6-4-2-3-5-12-6/h2-5H,1H3
InChIKeyKRADRFPFOBXRBV-UHFFFAOYSA-N
XLogP2.65
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(5-fluoropyridin-2-yl)-5-morpholinothiazole-4-carboxylate
CID 126482357
2-(Pyridin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 15623090
Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-4-carboxylate
CID 2746007
4-Thiazolecarboxylic acid, 2-(3-chloro-2-pyridinyl)-
CID 71695382
Ethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)thiazole-4-carboxylate
CID 2740491
Ethyl 2-[6-(Trifluoromethyl)-3-pyridyl]thiazole-4-carboxylate
CID 122476126
Ethyl 2-pyridin-2-yl-1,3-thiazole-4-carboxylate
CID 10082761
Ethyl 2-(pyridin-4-YL)thiazole-4-carboxylate
CID 595483
2-(3-Fluoropyridin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 71695287
Methyl 2-(6-(trifluoromethyl)pyridin-3-yl)thiazole-4-carboxylate
CID 166448386
Methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 62011182
Methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422884

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate (CID 126482326) is methyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2ccccn2)sc1Cl.
What is the InChIKey of methyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is KRADRFPFOBXRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2S/c1-15-10(14)7-8(11)16-9(13-7)6-4-2-3-5-12-6/h2-5H,1H3.
What are the key properties of methyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate?
methyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 254.70 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-pyridin-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126482326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).