1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea

C16H23N3O2S — CID 138010208

IUPAC1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea
SMILESO=C(NCc1nc2c(s1)COCC2)NC1CC12CCCCC2
InChIInChI=1S/C16H23N3O2S/c20-15(19-13-8-16(13)5-2-1-3-6-16)17-9-14-18-11-4-7-21-10-12(11)22-14/h13H,1-10H2,(H2,17,19,20)
InChIKeyHVBJBEPOCQXZFB-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.74
Rot. Bonds3

About 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea (PubChem CID 138010208) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea
PubChem CID138010208
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea
SMILESO=C(NCc1nc2c(s1)COCC2)NC1CC12CCCCC2
InChIInChI=1S/C16H23N3O2S/c20-15(19-13-8-16(13)5-2-1-3-6-16)17-9-14-18-11-4-7-21-10-12(11)22-14/h13H,1-10H2,(H2,17,19,20)
InChIKeyHVBJBEPOCQXZFB-UHFFFAOYSA-N
XLogP2.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea 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-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea
CID 138027802
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxane-4-carboxamide
CID 120940969
1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
CID 138010418
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)adamantane-1-carboxamide
CID 90543549
5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 166258137
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-6-fluoro-2H-benzotriazole-5-carboxamide
CID 136566251
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 139014543
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
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 139013342
1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-3-spiro[2.5]octan-2-ylurea
CID 166195967
3-cyclohexyl-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 90543548

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea (CID 138010208) is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea is O=C(NCc1nc2c(s1)COCC2)NC1CC12CCCCC2.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea?
The InChIKey is HVBJBEPOCQXZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-15(19-13-8-16(13)5-2-1-3-6-16)17-9-14-18-11-4-7-21-10-12(11)22-14/h13H,1-10H2,(H2,17,19,20).
What are the key properties of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea?
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea has a molecular weight of 321.45 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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-spiro[2.5]octan-2-ylurea is sourced from PubChem (CID 138010208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).