3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile

C10H14N4OS — CID 103379570

IUPAC3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
SMILESCCC1COCCN1c1snc(N)c1C#N
InChIInChI=1S/C10H14N4OS/c1-2-7-6-15-4-3-14(7)10-8(5-11)9(12)13-16-10/h7H,2-4,6H2,1H3,(H2,12,13)
InChIKeyJCYUAODWVWKMDS-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.21
Rot. Bonds2

About 3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile

3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile (PubChem CID 103379570) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
PubChem CID103379570
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
SMILESCCC1COCCN1c1snc(N)c1C#N
InChIInChI=1S/C10H14N4OS/c1-2-7-6-15-4-3-14(7)10-8(5-11)9(12)13-16-10/h7H,2-4,6H2,1H3,(H2,12,13)
InChIKeyJCYUAODWVWKMDS-UHFFFAOYSA-N
XLogP1.21
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile (CID 103379570) is 3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile is CCC1COCCN1c1snc(N)c1C#N.
What is the InChIKey of 3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile?
The InChIKey is JCYUAODWVWKMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-2-7-6-15-4-3-14(7)10-8(5-11)9(12)13-16-10/h7H,2-4,6H2,1H3,(H2,12,13).
What are the key properties of 3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile?
3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile has a molecular weight of 238.32 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103379570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).