tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate

C20H25N3O3S — CID 164769747

IUPACtert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C=Cc2ccc(N3CCOCC3)cc2)cs1
InChIInChI=1S/C20H25N3O3S/c1-20(2,3)26-19(24)22-18-21-16(14-27-18)7-4-15-5-8-17(9-6-15)23-10-12-25-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,21,22,24)
InChIKeyYYBYWXSRGCSBND-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.50
Rot. Bonds4

About tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 164769747) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate
PubChem CID164769747
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Nametert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C=Cc2ccc(N3CCOCC3)cc2)cs1
InChIInChI=1S/C20H25N3O3S/c1-20(2,3)26-19(24)22-18-21-16(14-27-18)7-4-15-5-8-17(9-6-15)23-10-12-25-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,21,22,24)
InChIKeyYYBYWXSRGCSBND-UHFFFAOYSA-N
XLogP4.50
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate (CID 164769747) is tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(C=Cc2ccc(N3CCOCC3)cc2)cs1.
What is the InChIKey of tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is YYBYWXSRGCSBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-20(2,3)26-19(24)22-18-21-16(14-27-18)7-4-15-5-8-17(9-6-15)23-10-12-25-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,21,22,24).
What are the key properties of tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 387.51 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 164769747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).