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

C18H22ClN3O2S — CID 161456237

IUPAC1-azabicyclo[3.2.1]octan-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride
SMILESCl.O=C(Nc1ncsc1-c1ccccc1)OCC1CCN2CCC1C2
InChIInChI=1S/C18H21N3O2S.ClH/c22-18(23-11-15-7-9-21-8-6-14(15)10-21)20-17-16(24-12-19-17)13-4-2-1-3-5-13;/h1-5,12,14-15H,6-11H2,(H,20,22);1H
InChIKeyPIBAYMOPEODTJK-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.12
Rot. Bonds4

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

1-azabicyclo[3.2.1]octan-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride (PubChem CID 161456237) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 1-azabicyclo[3.2.1]octan-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride.

Molecular Properties

Compound Name1-azabicyclo[3.2.1]octan-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride
PubChem CID161456237
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name1-azabicyclo[3.2.1]octan-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride
SMILESCl.O=C(Nc1ncsc1-c1ccccc1)OCC1CCN2CCC1C2
InChIInChI=1S/C18H21N3O2S.ClH/c22-18(23-11-15-7-9-21-8-6-14(15)10-21)20-17-16(24-12-19-17)13-4-2-1-3-5-13;/h1-5,12,14-15H,6-11H2,(H,20,22);1H
InChIKeyPIBAYMOPEODTJK-UHFFFAOYSA-N
XLogP4.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.1]octan-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride?
The IUPAC name of 1-azabicyclo[3.2.1]octan-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride (CID 161456237) is 1-azabicyclo[3.2.1]octan-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride.
What is the SMILES notation for 1-azabicyclo[3.2.1]octan-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride?
The canonical SMILES for 1-azabicyclo[3.2.1]octan-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride is Cl.O=C(Nc1ncsc1-c1ccccc1)OCC1CCN2CCC1C2.
What is the InChIKey of 1-azabicyclo[3.2.1]octan-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride?
The InChIKey is PIBAYMOPEODTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S.ClH/c22-18(23-11-15-7-9-21-8-6-14(15)10-21)20-17-16(24-12-19-17)13-4-2-1-3-5-13;/h1-5,12,14-15H,6-11H2,(H,20,22);1H.
What are the key properties of 1-azabicyclo[3.2.1]octan-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride?
1-azabicyclo[3.2.1]octan-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of 4.12, 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-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride is sourced from PubChem (CID 161456237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).