ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate

C14H17N3O4S — CID 170948135

IUPACethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2sc(NC(=O)OC(C)(C)C)nc2cn1
InChIInChI=1S/C14H17N3O4S/c1-5-20-11(18)8-6-10-9(7-15-8)16-12(22-10)17-13(19)21-14(2,3)4/h6-7H,5H2,1-4H3,(H,16,17,19)
InChIKeyJZHHNNVOCPUGDX-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.21
Rot. Bonds3

About ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate

ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate (PubChem CID 170948135) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate
PubChem CID170948135
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2sc(NC(=O)OC(C)(C)C)nc2cn1
InChIInChI=1S/C14H17N3O4S/c1-5-20-11(18)8-6-10-9(7-15-8)16-12(22-10)17-13(19)21-14(2,3)4/h6-7H,5H2,1-4H3,(H,16,17,19)
InChIKeyJZHHNNVOCPUGDX-UHFFFAOYSA-N
XLogP3.21
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate (CID 170948135) is ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate is CCOC(=O)c1cc2sc(NC(=O)OC(C)(C)C)nc2cn1.
What is the InChIKey of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate?
The InChIKey is JZHHNNVOCPUGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-5-20-11(18)8-6-10-9(7-15-8)16-12(22-10)17-13(19)21-14(2,3)4/h6-7H,5H2,1-4H3,(H,16,17,19).
What are the key properties of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate?
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate has a molecular weight of 323.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 170948135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).