4-quinazolin-4-ylthiomorpholine;urea

C13H17N5OS — CID 171802297

IUPAC4-quinazolin-4-ylthiomorpholine;urea
SMILESNC(N)=O.c1ccc2c(N3CCSCC3)ncnc2c1
InChIInChI=1S/C12H13N3S.CH4N2O/c1-2-4-11-10(3-1)12(14-9-13-11)15-5-7-16-8-6-15;2-1(3)4/h1-4,9H,5-8H2;(H4,2,3,4)
InChIKeyQYHHGEODTFKEPO-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.21
Rot. Bonds1

About 4-quinazolin-4-ylthiomorpholine;urea

4-quinazolin-4-ylthiomorpholine;urea (PubChem CID 171802297) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-quinazolin-4-ylthiomorpholine;urea.

Molecular Properties

Compound Name4-quinazolin-4-ylthiomorpholine;urea
PubChem CID171802297
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name4-quinazolin-4-ylthiomorpholine;urea
SMILESNC(N)=O.c1ccc2c(N3CCSCC3)ncnc2c1
InChIInChI=1S/C12H13N3S.CH4N2O/c1-2-4-11-10(3-1)12(14-9-13-11)15-5-7-16-8-6-15;2-1(3)4/h1-4,9H,5-8H2;(H4,2,3,4)
InChIKeyQYHHGEODTFKEPO-UHFFFAOYSA-N
XLogP1.21
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-quinazolin-4-ylthiomorpholine;urea?
The IUPAC name of 4-quinazolin-4-ylthiomorpholine;urea (CID 171802297) is 4-quinazolin-4-ylthiomorpholine;urea.
What is the SMILES notation for 4-quinazolin-4-ylthiomorpholine;urea?
The canonical SMILES for 4-quinazolin-4-ylthiomorpholine;urea is NC(N)=O.c1ccc2c(N3CCSCC3)ncnc2c1.
What is the InChIKey of 4-quinazolin-4-ylthiomorpholine;urea?
The InChIKey is QYHHGEODTFKEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S.CH4N2O/c1-2-4-11-10(3-1)12(14-9-13-11)15-5-7-16-8-6-15;2-1(3)4/h1-4,9H,5-8H2;(H4,2,3,4).
What are the key properties of 4-quinazolin-4-ylthiomorpholine;urea?
4-quinazolin-4-ylthiomorpholine;urea has a molecular weight of 291.38 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinazolin-4-ylthiomorpholine;urea is sourced from PubChem (CID 171802297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).