2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide

C16H18N4O4S — CID 66864763

IUPAC2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2nc3c(s2)CN(C(N)=O)CC3)cc1OC
InChIInChI=1S/C16H18N4O4S/c1-23-11-4-3-9(7-12(11)24-2)18-14(21)15-19-10-5-6-20(16(17)22)8-13(10)25-15/h3-4,7H,5-6,8H2,1-2H3,(H2,17,22)(H,18,21)
InChIKeyGNDHZDVDMUVLJF-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.85
Rot. Bonds4

About 2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide

2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide (PubChem CID 66864763) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
PubChem CID66864763
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2nc3c(s2)CN(C(N)=O)CC3)cc1OC
InChIInChI=1S/C16H18N4O4S/c1-23-11-4-3-9(7-12(11)24-2)18-14(21)15-19-10-5-6-20(16(17)22)8-13(10)25-15/h3-4,7H,5-6,8H2,1-2H3,(H2,17,22)(H,18,21)
InChIKeyGNDHZDVDMUVLJF-UHFFFAOYSA-N
XLogP1.85
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide (CID 66864763) is 2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide is COc1ccc(NC(=O)c2nc3c(s2)CN(C(N)=O)CC3)cc1OC.
What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide?
The InChIKey is GNDHZDVDMUVLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-23-11-4-3-9(7-12(11)24-2)18-14(21)15-19-10-5-6-20(16(17)22)8-13(10)25-15/h3-4,7H,5-6,8H2,1-2H3,(H2,17,22)(H,18,21).
What are the key properties of 2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide?
2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide has a molecular weight of 362.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 66864763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).