4-(2-isocyano-1,3-thiazol-5-yl)morpholine

C8H9N3OS — CID 15398928

IUPAC4-(2-isocyano-1,3-thiazol-5-yl)morpholine
SMILES[C-]#[N+]c1ncc(N2CCOCC2)s1
InChIInChI=1S/C8H9N3OS/c1-9-8-10-6-7(13-8)11-2-4-12-5-3-11/h6H,2-5H2
InChIKeyUKVYQGDFXVJGOY-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.53
Rot. Bonds1

About 4-(2-isocyano-1,3-thiazol-5-yl)morpholine

4-(2-isocyano-1,3-thiazol-5-yl)morpholine (PubChem CID 15398928) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 4-(2-isocyano-1,3-thiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(2-isocyano-1,3-thiazol-5-yl)morpholine
PubChem CID15398928
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name4-(2-isocyano-1,3-thiazol-5-yl)morpholine
SMILES[C-]#[N+]c1ncc(N2CCOCC2)s1
InChIInChI=1S/C8H9N3OS/c1-9-8-10-6-7(13-8)11-2-4-12-5-3-11/h6H,2-5H2
InChIKeyUKVYQGDFXVJGOY-UHFFFAOYSA-N
XLogP1.53
TPSA29.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-Thiazol-2-yl)morpholine
CID 15475837
2-Bromo-5-morpholinothiazole
CID 60076349
(E)-1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 9660703
4-[5-(4-Fluoropiperidin-1-yl)-1,3-thiazol-2-yl]morpholine
CID 150585310
2-[4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 53530005
1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 2088725
4-(5-Nitro-1,3-thiazol-2-yl)morpholine
CID 10608705
N-[5-(4-Morpholinyl)-2-thiazolyl]formamide
CID 15398953
5-Morpholin-4-yl-thiazol-2-ylamine
CID 59301285
5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine
CID 59301381
2-Morpholin-4-yl-thiazol-5-ylamine
CID 66520644
4-(5-Iodo-1,3-thiazol-2-yl)morpholine
CID 70824639

Frequently Asked Questions

What is the IUPAC name of 4-(2-isocyano-1,3-thiazol-5-yl)morpholine?
The IUPAC name of 4-(2-isocyano-1,3-thiazol-5-yl)morpholine (CID 15398928) is 4-(2-isocyano-1,3-thiazol-5-yl)morpholine.
What is the SMILES notation for 4-(2-isocyano-1,3-thiazol-5-yl)morpholine?
The canonical SMILES for 4-(2-isocyano-1,3-thiazol-5-yl)morpholine is [C-]#[N+]c1ncc(N2CCOCC2)s1.
What is the InChIKey of 4-(2-isocyano-1,3-thiazol-5-yl)morpholine?
The InChIKey is UKVYQGDFXVJGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-9-8-10-6-7(13-8)11-2-4-12-5-3-11/h6H,2-5H2.
What are the key properties of 4-(2-isocyano-1,3-thiazol-5-yl)morpholine?
4-(2-isocyano-1,3-thiazol-5-yl)morpholine has a molecular weight of 195.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-isocyano-1,3-thiazol-5-yl)morpholine is sourced from PubChem (CID 15398928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).