[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid

C10H13N3O4S — CID 87546804

IUPAC[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(CCN2CCOCC2=O)cs1
InChIInChI=1S/C10H13N3O4S/c14-8-5-17-4-3-13(8)2-1-7-6-18-9(11-7)12-10(15)16/h6H,1-5H2,(H,11,12)(H,15,16)
InChIKeyVVCKDYQNZNYYAG-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.63
Rot. Bonds4

About [4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid

[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87546804) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is [4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid
PubChem CID87546804
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(CCN2CCOCC2=O)cs1
InChIInChI=1S/C10H13N3O4S/c14-8-5-17-4-3-13(8)2-1-7-6-18-9(11-7)12-10(15)16/h6H,1-5H2,(H,11,12)(H,15,16)
InChIKeyVVCKDYQNZNYYAG-UHFFFAOYSA-N
XLogP0.63
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid (CID 87546804) is [4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid is O=C(O)Nc1nc(CCN2CCOCC2=O)cs1.
What is the InChIKey of [4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is VVCKDYQNZNYYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c14-8-5-17-4-3-13(8)2-1-7-6-18-9(11-7)12-10(15)16/h6H,1-5H2,(H,11,12)(H,15,16).
What are the key properties of [4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid?
[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 271.30 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87546804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).