4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one

C9H15N3O2S — CID 106381751

IUPAC4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CNCCO2)cs1
InChIInChI=1S/C9H15N3O2S/c13-9-12-7(6-15-9)3-11-5-8-4-10-1-2-14-8/h6,8,10-11H,1-5H2,(H,12,13)
InChIKeyAEFMGZFZHJOXKA-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.49
Rot. Bonds4

About 4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one

4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381751) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106381751
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CNCCO2)cs1
InChIInChI=1S/C9H15N3O2S/c13-9-12-7(6-15-9)3-11-5-8-4-10-1-2-14-8/h6,8,10-11H,1-5H2,(H,12,13)
InChIKeyAEFMGZFZHJOXKA-UHFFFAOYSA-N
XLogP-0.49
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106381751) is 4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC2CNCCO2)cs1.
What is the InChIKey of 4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is AEFMGZFZHJOXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c13-9-12-7(6-15-9)3-11-5-8-4-10-1-2-14-8/h6,8,10-11H,1-5H2,(H,12,13).
What are the key properties of 4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 229.30 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(morpholin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).