4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile

C8H10N4OS — CID 21319839

IUPAC4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(N2CCOCC2)nc1N
InChIInChI=1S/C8H10N4OS/c9-5-6-7(10)11-8(14-6)12-1-3-13-4-2-12/h1-4,10H2
InChIKeyUIYOZICJTFXJEZ-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.43
Rot. Bonds1

About 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile

4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile (PubChem CID 21319839) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile
PubChem CID21319839
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(N2CCOCC2)nc1N
InChIInChI=1S/C8H10N4OS/c9-5-6-7(10)11-8(14-6)12-1-3-13-4-2-12/h1-4,10H2
InChIKeyUIYOZICJTFXJEZ-UHFFFAOYSA-N
XLogP0.43
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile (CID 21319839) is 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile is N#Cc1sc(N2CCOCC2)nc1N.
What is the InChIKey of 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile?
The InChIKey is UIYOZICJTFXJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c9-5-6-7(10)11-8(14-6)12-1-3-13-4-2-12/h1-4,10H2.
What are the key properties of 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile?
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile has a molecular weight of 210.26 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 21319839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).