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

C15H21N5O2S — CID 71992144

IUPAC1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C15H21N5O2S/c1-10(2)8-20-5-4-16-13(20)7-17-14(21)19-15-18-11-3-6-22-9-12(11)23-15/h4-5,10H,3,6-9H2,1-2H3,(H2,17,18,19,21)
InChIKeyDBQXSDHPURZARB-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.39
Rot. Bonds5

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

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea (PubChem CID 71992144) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
PubChem CID71992144
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C15H21N5O2S/c1-10(2)8-20-5-4-16-13(20)7-17-14(21)19-15-18-11-3-6-22-9-12(11)23-15/h4-5,10H,3,6-9H2,1-2H3,(H2,17,18,19,21)
InChIKeyDBQXSDHPURZARB-UHFFFAOYSA-N
XLogP2.39
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-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

Related Compounds

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 72132909
10-Oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene
CID 21107968
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
CID 71860762
3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981538
(3R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 95771356
(3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 95771357
3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(3-imidazol-1-ylpropyl)-1-methylurea
CID 99818931
3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 127330983
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea
CID 127443378
3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea
CID 127732040
(2R,3R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128328811
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]urea
CID 137865066

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea (CID 71992144) is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-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-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea is CC(C)Cn1ccnc1CNC(=O)Nc1nc2c(s1)COCC2.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The InChIKey is DBQXSDHPURZARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10(2)8-20-5-4-16-13(20)7-17-14(21)19-15-18-11-3-6-22-9-12(11)23-15/h4-5,10H,3,6-9H2,1-2H3,(H2,17,18,19,21).
What are the key properties of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea has a molecular weight of 335.43 g/mol, XLogP of 2.39, 5 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-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea is sourced from PubChem (CID 71992144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).