7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile

C11H12N4O2S — CID 139613057

IUPAC7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
SMILESN#Cc1c(N2CCOCC2)nc2n(c1=O)CCS2
InChIInChI=1S/C11H12N4O2S/c12-7-8-9(14-1-4-17-5-2-14)13-11-15(10(8)16)3-6-18-11/h1-6H2
InChIKeyLOSHDKCCPNOPFU-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.06
Rot. Bonds1

About 7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile

7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile (PubChem CID 139613057) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
PubChem CID139613057
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
SMILESN#Cc1c(N2CCOCC2)nc2n(c1=O)CCS2
InChIInChI=1S/C11H12N4O2S/c12-7-8-9(14-1-4-17-5-2-14)13-11-15(10(8)16)3-6-18-11/h1-6H2
InChIKeyLOSHDKCCPNOPFU-UHFFFAOYSA-N
XLogP0.06
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile (CID 139613057) is 7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile is N#Cc1c(N2CCOCC2)nc2n(c1=O)CCS2.
What is the InChIKey of 7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile?
The InChIKey is LOSHDKCCPNOPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c12-7-8-9(14-1-4-17-5-2-14)13-11-15(10(8)16)3-6-18-11/h1-6H2.
What are the key properties of 7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile?
7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile has a molecular weight of 264.31 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 139613057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).