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

C14H17N5O2S — CID 127732040

IUPAC3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea
SMILESCN(CCc1cnccn1)C(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C14H17N5O2S/c1-19(6-2-10-8-15-4-5-16-10)14(20)18-13-17-11-3-7-21-9-12(11)22-13/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18,20)
InChIKeySYYPLJQVMZLFOU-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.71
Rot. Bonds4

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

3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea (PubChem CID 127732040) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea
PubChem CID127732040
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea
SMILESCN(CCc1cnccn1)C(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C14H17N5O2S/c1-19(6-2-10-8-15-4-5-16-10)14(20)18-13-17-11-3-7-21-9-12(11)22-13/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18,20)
InChIKeySYYPLJQVMZLFOU-UHFFFAOYSA-N
XLogP1.71
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrazine-2-carboxamide
CID 95985880
N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]pyrazin-2-amine
CID 132390783
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 72132909
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
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
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea
CID 72117556
(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-(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

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea?
The IUPAC name of 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea (CID 127732040) is 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea.
What is the SMILES notation for 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea?
The canonical SMILES for 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea is CN(CCc1cnccn1)C(=O)Nc1nc2c(s1)COCC2.
What is the InChIKey of 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea?
The InChIKey is SYYPLJQVMZLFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-19(6-2-10-8-15-4-5-16-10)14(20)18-13-17-11-3-7-21-9-12(11)22-13/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18,20).
What are the key properties of 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea?
3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea has a molecular weight of 319.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea is sourced from PubChem (CID 127732040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).