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

C13H16N4O3S — CID 138027802

IUPAC1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea
SMILESCCc1cc(NC(=O)NCc2nc3c(s2)COCC3)no1
InChIInChI=1S/C13H16N4O3S/c1-2-8-5-11(17-20-8)16-13(18)14-6-12-15-9-3-4-19-7-10(9)21-12/h5H,2-4,6-7H2,1H3,(H2,14,16,17,18)
InChIKeyOMYITGRXBWGUOB-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.09
Rot. Bonds4

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

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea (PubChem CID 138027802) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea
PubChem CID138027802
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea
SMILESCCc1cc(NC(=O)NCc2nc3c(s2)COCC3)no1
InChIInChI=1S/C13H16N4O3S/c1-2-8-5-11(17-20-8)16-13(18)14-6-12-15-9-3-4-19-7-10(9)21-12/h5H,2-4,6-7H2,1H3,(H2,14,16,17,18)
InChIKeyOMYITGRXBWGUOB-UHFFFAOYSA-N
XLogP2.09
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea with MolForge

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Related Compounds

1-(4-chlorothiophen-3-yl)-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)urea
CID 167897799
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]urea
CID 166368105
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-6-fluoro-2H-benzotriazole-5-carboxamide
CID 136566251
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4-ethylsulfonylphenyl)methyl]urea
CID 154751990
5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 166258137
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea
CID 138010208
N-(5-ethyl-1,2-oxazol-3-yl)acetamide
CID 70556481
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
CID 154844672
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea
CID 136526479
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 139014543
3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide
CID 167754276
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea
CID 138054203

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea (CID 138027802) is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea is CCc1cc(NC(=O)NCc2nc3c(s2)COCC3)no1.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea?
The InChIKey is OMYITGRXBWGUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-2-8-5-11(17-20-8)16-13(18)14-6-12-15-9-3-4-19-7-10(9)21-12/h5H,2-4,6-7H2,1H3,(H2,14,16,17,18).
What are the key properties of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea?
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea has a molecular weight of 308.36 g/mol, XLogP of 2.09, 4 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-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 138027802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).