methyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate

C10H9N3O2S2 — CID 168754156

IUPACmethyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(SC)nc(-c2cncs2)n1
InChIInChI=1S/C10H9N3O2S2/c1-15-10(14)6-3-8(16-2)13-9(12-6)7-4-11-5-17-7/h3-5H,1-2H3
InChIKeyWBTBLBRULPSRAK-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.11
Rot. Bonds3

About methyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate

methyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate (PubChem CID 168754156) has the molecular formula C10H9N3O2S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate
PubChem CID168754156
Molecular FormulaC10H9N3O2S2
Molecular Weight267.33 g/mol
Exact Mass267.01
IUPAC Namemethyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(SC)nc(-c2cncs2)n1
InChIInChI=1S/C10H9N3O2S2/c1-15-10(14)6-3-8(16-2)13-9(12-6)7-4-11-5-17-7/h3-5H,1-2H3
InChIKeyWBTBLBRULPSRAK-UHFFFAOYSA-N
XLogP2.11
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate (CID 168754156) is methyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate is COC(=O)c1cc(SC)nc(-c2cncs2)n1.
What is the InChIKey of methyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate?
The InChIKey is WBTBLBRULPSRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S2/c1-15-10(14)6-3-8(16-2)13-9(12-6)7-4-11-5-17-7/h3-5H,1-2H3.
What are the key properties of methyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate?
methyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 168754156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).