1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea

C15H19N5O2S — CID 154736810

IUPAC1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
SMILESO=C(NCc1cn2c(n1)CCCC2)Nc1nc2c(s1)COCC2
InChIInChI=1S/C15H19N5O2S/c21-14(19-15-18-11-4-6-22-9-12(11)23-15)16-7-10-8-20-5-2-1-3-13(20)17-10/h8H,1-7,9H2,(H2,16,18,19,21)
InChIKeyLUGXQVJEALEXQD-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.07
Rot. Bonds3

About 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea (PubChem CID 154736810) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
PubChem CID154736810
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
SMILESO=C(NCc1cn2c(n1)CCCC2)Nc1nc2c(s1)COCC2
InChIInChI=1S/C15H19N5O2S/c21-14(19-15-18-11-4-6-22-9-12(11)23-15)16-7-10-8-20-5-2-1-3-13(20)17-10/h8H,1-7,9H2,(H2,16,18,19,21)
InChIKeyLUGXQVJEALEXQD-UHFFFAOYSA-N
XLogP2.07
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea with MolForge

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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
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
(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
3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea
CID 127732040
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
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea
CID 138025161

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea (CID 154736810) is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea is O=C(NCc1cn2c(n1)CCCC2)Nc1nc2c(s1)COCC2.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
The InChIKey is LUGXQVJEALEXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c21-14(19-15-18-11-4-6-22-9-12(11)23-15)16-7-10-8-20-5-2-1-3-13(20)17-10/h8H,1-7,9H2,(H2,16,18,19,21).
What are the key properties of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea has a molecular weight of 333.42 g/mol, XLogP of 2.07, 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-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea is sourced from PubChem (CID 154736810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).