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

C14H23N3O3S — CID 118297234

IUPACtert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(c1nccs1)N1CCOCC1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)20-13(18)16-10-11(12-15-4-9-21-12)17-5-7-19-8-6-17/h4,9,11H,5-8,10H2,1-3H3,(H,16,18)
InChIKeyYLWFSCABSGZSQY-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.04
Rot. Bonds4

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

tert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate (PubChem CID 118297234) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is tert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate
PubChem CID118297234
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Nametert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(c1nccs1)N1CCOCC1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)20-13(18)16-10-11(12-15-4-9-21-12)17-5-7-19-8-6-17/h4,9,11H,5-8,10H2,1-3H3,(H,16,18)
InChIKeyYLWFSCABSGZSQY-UHFFFAOYSA-N
XLogP2.04
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate (CID 118297234) is tert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCC(c1nccs1)N1CCOCC1.
What is the InChIKey of tert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate?
The InChIKey is YLWFSCABSGZSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2,3)20-13(18)16-10-11(12-15-4-9-21-12)17-5-7-19-8-6-17/h4,9,11H,5-8,10H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate has a molecular weight of 313.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 118297234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).