2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine

C8H13N3OS — CID 54127988

IUPAC2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine
SMILESCC1COCCN1c1nc(N)cs1
InChIInChI=1S/C8H13N3OS/c1-6-4-12-3-2-11(6)8-10-7(9)5-13-8/h5-6H,2-4,9H2,1H3
InChIKeyNSIDXQQEHYFWOE-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.95
Rot. Bonds1

About 2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine

2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine (PubChem CID 54127988) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine
PubChem CID54127988
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine
SMILESCC1COCCN1c1nc(N)cs1
InChIInChI=1S/C8H13N3OS/c1-6-4-12-3-2-11(6)8-10-7(9)5-13-8/h5-6H,2-4,9H2,1H3
InChIKeyNSIDXQQEHYFWOE-UHFFFAOYSA-N
XLogP0.95
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine (CID 54127988) is 2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine is CC1COCCN1c1nc(N)cs1.
What is the InChIKey of 2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine?
The InChIKey is NSIDXQQEHYFWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-4-12-3-2-11(6)8-10-7(9)5-13-8/h5-6H,2-4,9H2,1H3.
What are the key properties of 2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine?
2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine has a molecular weight of 199.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 54127988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).