methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate

C11H16N2O4S — CID 91933817

IUPACmethyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1ncc(N(C)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C11H16N2O4S/c1-11(2,3)17-10(15)13(4)7-6-12-8(18-7)9(14)16-5/h6H,1-5H3
InChIKeyPLCZAJPVVKDLJR-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.30
Rot. Bonds2

About methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate

methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate (PubChem CID 91933817) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate
PubChem CID91933817
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1ncc(N(C)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C11H16N2O4S/c1-11(2,3)17-10(15)13(4)7-6-12-8(18-7)9(14)16-5/h6H,1-5H3
InChIKeyPLCZAJPVVKDLJR-UHFFFAOYSA-N
XLogP2.30
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate?
The IUPAC name of methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate (CID 91933817) is methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate?
The canonical SMILES for methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate is COC(=O)c1ncc(N(C)C(=O)OC(C)(C)C)s1.
What is the InChIKey of methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate?
The InChIKey is PLCZAJPVVKDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(15)13(4)7-6-12-8(18-7)9(14)16-5/h6H,1-5H3.
What are the key properties of methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate?
methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 91933817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).