1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea

C15H20N4O3S — CID 167984606

IUPAC1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESCc1ccc2nc(NC(=O)N(C)CC3(O)CCOCC3)sc2n1
InChIInChI=1S/C15H20N4O3S/c1-10-3-4-11-12(16-10)23-13(17-11)18-14(20)19(2)9-15(21)5-7-22-8-6-15/h3-4,21H,5-9H2,1-2H3,(H,17,18,20)
InChIKeyLEBPNVODJGNVIC-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.00
Rot. Bonds3

About 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea

1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (PubChem CID 167984606) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
PubChem CID167984606
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESCc1ccc2nc(NC(=O)N(C)CC3(O)CCOCC3)sc2n1
InChIInChI=1S/C15H20N4O3S/c1-10-3-4-11-12(16-10)23-13(17-11)18-14(20)19(2)9-15(21)5-7-22-8-6-15/h3-4,21H,5-9H2,1-2H3,(H,17,18,20)
InChIKeyLEBPNVODJGNVIC-UHFFFAOYSA-N
XLogP2.00
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea 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-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (CID 167984606) is 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.
What is the SMILES notation for 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The canonical SMILES for 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is Cc1ccc2nc(NC(=O)N(C)CC3(O)CCOCC3)sc2n1.
What is the InChIKey of 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The InChIKey is LEBPNVODJGNVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10-3-4-11-12(16-10)23-13(17-11)18-14(20)19(2)9-15(21)5-7-22-8-6-15/h3-4,21H,5-9H2,1-2H3,(H,17,18,20).
What are the key properties of 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea has a molecular weight of 336.42 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is sourced from PubChem (CID 167984606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).