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

C13H14N4O2S — CID 136526479

IUPAC1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1nc2c(s1)COCC2
InChIInChI=1S/C13H14N4O2S/c18-12(15-7-9-2-1-4-14-6-9)17-13-16-10-3-5-19-8-11(10)20-13/h1-2,4,6H,3,5,7-8H2,(H2,15,16,17,18)
InChIKeyIIYIZRVCUDYQHO-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.93
Rot. Bonds3

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

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 136526479) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea
PubChem CID136526479
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1nc2c(s1)COCC2
InChIInChI=1S/C13H14N4O2S/c18-12(15-7-9-2-1-4-14-6-9)17-13-16-10-3-5-19-8-11(10)20-13/h1-2,4,6H,3,5,7-8H2,(H2,15,16,17,18)
InChIKeyIIYIZRVCUDYQHO-UHFFFAOYSA-N
XLogP1.93
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4-ethylsulfonylphenyl)methyl]urea
CID 154751990
1-(6-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethyl)urea
CID 110706299
1-[(4-methylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 20966617
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridin-3-ylpropanamide
CID 33040096
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
4-(aminomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)benzamide
CID 119317040
3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 24611789
3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride
CID 119317032
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]urea
CID 166409798
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
4-(pyridin-3-ylmethylcarbamoylamino)benzenesulfonic acid
CID 127560849

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea (CID 136526479) is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1nc2c(s1)COCC2.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is IIYIZRVCUDYQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-12(15-7-9-2-1-4-14-6-9)17-13-16-10-3-5-19-8-11(10)20-13/h1-2,4,6H,3,5,7-8H2,(H2,15,16,17,18).
What are the key properties of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea?
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 290.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 136526479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).