1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea

C14H18N6O3S — CID 58441186

IUPAC1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2c(s1)CN(c1cc(OC)nc(OC)n1)CC2
InChIInChI=1S/C14H18N6O3S/c1-15-12(21)19-14-16-8-4-5-20(7-9(8)24-14)10-6-11(22-2)18-13(17-10)23-3/h6H,4-5,7H2,1-3H3,(H2,15,16,19,21)
InChIKeyVITBFDHNCDWWOI-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.26
Rot. Bonds4

About 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea

1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea (PubChem CID 58441186) has the molecular formula C14H18N6O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
PubChem CID58441186
Molecular FormulaC14H18N6O3S
Molecular Weight350.40 g/mol
Exact Mass350.12
IUPAC Name1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2c(s1)CN(c1cc(OC)nc(OC)n1)CC2
InChIInChI=1S/C14H18N6O3S/c1-15-12(21)19-14-16-8-4-5-20(7-9(8)24-14)10-6-11(22-2)18-13(17-10)23-3/h6H,4-5,7H2,1-3H3,(H2,15,16,19,21)
InChIKeyVITBFDHNCDWWOI-UHFFFAOYSA-N
XLogP1.26
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
The IUPAC name of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea (CID 58441186) is 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea.
What is the SMILES notation for 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
The canonical SMILES for 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea is CNC(=O)Nc1nc2c(s1)CN(c1cc(OC)nc(OC)n1)CC2.
What is the InChIKey of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
The InChIKey is VITBFDHNCDWWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3S/c1-15-12(21)19-14-16-8-4-5-20(7-9(8)24-14)10-6-11(22-2)18-13(17-10)23-3/h6H,4-5,7H2,1-3H3,(H2,15,16,19,21).
What are the key properties of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea has a molecular weight of 350.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea is sourced from PubChem (CID 58441186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).