1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea

C13H16N4O2S2 — CID 71992142

IUPAC1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1nc(CNC(=O)Nc2nc3c(s2)COCC3)sc1C
InChIInChI=1S/C13H16N4O2S2/c1-7-8(2)20-11(15-7)5-14-12(18)17-13-16-9-3-4-19-6-10(9)21-13/h3-6H2,1-2H3,(H2,14,16,17,18)
InChIKeyAXHGAZVCKWAVRP-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.61
Rot. Bonds3

About 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 71992142) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID71992142
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1nc(CNC(=O)Nc2nc3c(s2)COCC3)sc1C
InChIInChI=1S/C13H16N4O2S2/c1-7-8(2)20-11(15-7)5-14-12(18)17-13-16-9-3-4-19-6-10(9)21-13/h3-6H2,1-2H3,(H2,14,16,17,18)
InChIKeyAXHGAZVCKWAVRP-UHFFFAOYSA-N
XLogP2.61
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]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-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea (CID 71992142) is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea is Cc1nc(CNC(=O)Nc2nc3c(s2)COCC3)sc1C.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is AXHGAZVCKWAVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-7-8(2)20-11(15-7)5-14-12(18)17-13-16-9-3-4-19-6-10(9)21-13/h3-6H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea?
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 324.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 71992142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).