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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Related Compounds

2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 107124586
methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate
CID 130568901
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 102842185
methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate
CID 114078260
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate
CID 115327950
2-(5-chloro-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 107124594
methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78919754
methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate
CID 154752871
methyl 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 115350310
methyl 2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 115327916
methyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate
CID 79079553

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).