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

C13H15N5O2S — CID 127330983

IUPAC3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
SMILESCN(Cc1cnccn1)C(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C13H15N5O2S/c1-18(7-9-6-14-3-4-15-9)13(19)17-12-16-10-2-5-20-8-11(10)21-12/h3-4,6H,2,5,7-8H2,1H3,(H,16,17,19)
InChIKeyQKWVEZWIMODCFI-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.67
Rot. Bonds3

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

3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea (PubChem CID 127330983) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
PubChem CID127330983
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
SMILESCN(Cc1cnccn1)C(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C13H15N5O2S/c1-18(7-9-6-14-3-4-15-9)13(19)17-12-16-10-2-5-20-8-11(10)21-12/h3-4,6H,2,5,7-8H2,1H3,(H,16,17,19)
InChIKeyQKWVEZWIMODCFI-UHFFFAOYSA-N
XLogP1.67
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.67
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-(pyrazin-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)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
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
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-(2-pyrazin-2-ylethyl)urea
CID 127732040
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-(pyrazin-2-ylmethyl)urea?
The IUPAC name of 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea (CID 127330983) is 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea.
What is the SMILES notation for 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea?
The canonical SMILES for 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea is CN(Cc1cnccn1)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-(pyrazin-2-ylmethyl)urea?
The InChIKey is QKWVEZWIMODCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-18(7-9-6-14-3-4-15-9)13(19)17-12-16-10-2-5-20-8-11(10)21-12/h3-4,6H,2,5,7-8H2,1H3,(H,16,17,19).
What are the key properties of 3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea?
3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea has a molecular weight of 305.36 g/mol, XLogP of 1.67, 3 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-(pyrazin-2-ylmethyl)urea is sourced from PubChem (CID 127330983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).