methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate

C9H7ClN2O2S2 — CID 107124592

IUPACmethyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ncc(Cl)s2)nc1C
InChIInChI=1S/C9H7ClN2O2S2/c1-4-6(9(13)14-2)16-8(12-4)7-11-3-5(10)15-7/h3H,1-2H3
InChIKeyCPWCRCKTYQXDFK-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.02
Rot. Bonds2

About methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 107124592) has the molecular formula C9H7ClN2O2S2 and a molecular weight of 274.75 g/mol. Its IUPAC name is methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID107124592
Molecular FormulaC9H7ClN2O2S2
Molecular Weight274.75 g/mol
Exact Mass273.96
IUPAC Namemethyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ncc(Cl)s2)nc1C
InChIInChI=1S/C9H7ClN2O2S2/c1-4-6(9(13)14-2)16-8(12-4)7-11-3-5(10)15-7/h3H,1-2H3
InChIKeyCPWCRCKTYQXDFK-UHFFFAOYSA-N
XLogP3.02
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate (CID 107124592) is methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ncc(Cl)s2)nc1C.
What is the InChIKey of methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is CPWCRCKTYQXDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S2/c1-4-6(9(13)14-2)16-8(12-4)7-11-3-5(10)15-7/h3H,1-2H3.
What are the key properties of methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 274.75 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 107124592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).