1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate

C18H21N3O2S — CID 59291539

IUPAC1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate
SMILESO=C(Nc1ncsc1-c1ccccc1)OCC1CC2CCN(C2)C1
InChIInChI=1S/C18H21N3O2S/c22-18(23-11-14-8-13-6-7-21(9-13)10-14)20-17-16(24-12-19-17)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,20,22)
InChIKeyCZHCIJKVGUMDEO-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.70
Rot. Bonds4

About 1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate

1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate (PubChem CID 59291539) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate.

Molecular Properties

Compound Name1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate
PubChem CID59291539
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate
SMILESO=C(Nc1ncsc1-c1ccccc1)OCC1CC2CCN(C2)C1
InChIInChI=1S/C18H21N3O2S/c22-18(23-11-14-8-13-6-7-21(9-13)10-14)20-17-16(24-12-19-17)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,20,22)
InChIKeyCZHCIJKVGUMDEO-UHFFFAOYSA-N
XLogP3.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)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 1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate?
The IUPAC name of 1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate (CID 59291539) is 1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate.
What is the SMILES notation for 1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate?
The canonical SMILES for 1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate is O=C(Nc1ncsc1-c1ccccc1)OCC1CC2CCN(C2)C1.
What is the InChIKey of 1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate?
The InChIKey is CZHCIJKVGUMDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-18(23-11-14-8-13-6-7-21(9-13)10-14)20-17-16(24-12-19-17)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,20,22).
What are the key properties of 1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate?
1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate has a molecular weight of 343.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate is sourced from PubChem (CID 59291539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).