methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate

C10H9ClN4O2S — CID 86629761

IUPACmethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2cc(Cl)nc(C)n2)s1
InChIInChI=1S/C10H9ClN4O2S/c1-5-13-7(11)3-8(14-5)15-10-12-4-6(18-10)9(16)17-2/h3-4H,1-2H3,(H,12,13,14,15)
InChIKeyPWEKRDVMLSIHBF-UHFFFAOYSA-N
MW284.73 g/mol
LogP2.43
Rot. Bonds3

About methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate

methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 86629761) has the molecular formula C10H9ClN4O2S and a molecular weight of 284.73 g/mol. Its IUPAC name is methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID86629761
Molecular FormulaC10H9ClN4O2S
Molecular Weight284.73 g/mol
Exact Mass284.01
IUPAC Namemethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2cc(Cl)nc(C)n2)s1
InChIInChI=1S/C10H9ClN4O2S/c1-5-13-7(11)3-8(14-5)15-10-12-4-6(18-10)9(16)17-2/h3-4H,1-2H3,(H,12,13,14,15)
InChIKeyPWEKRDVMLSIHBF-UHFFFAOYSA-N
XLogP2.43
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate (CID 86629761) is methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(Nc2cc(Cl)nc(C)n2)s1.
What is the InChIKey of methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is PWEKRDVMLSIHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S/c1-5-13-7(11)3-8(14-5)15-10-12-4-6(18-10)9(16)17-2/h3-4H,1-2H3,(H,12,13,14,15).
What are the key properties of methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 284.73 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 86629761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).