1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate

C16H17N3O2S — CID 59291575

IUPAC1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate
SMILESO=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)C2
InChIInChI=1S/C16H17N3O2S/c20-15(21-16-6-8-19(10-16)9-7-16)18-14-13(22-11-17-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,18,20)
InChIKeyYVIQQWOEWNANFA-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.21
Rot. Bonds3

About 1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate

1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate (PubChem CID 59291575) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate
PubChem CID59291575
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate
SMILESO=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)C2
InChIInChI=1S/C16H17N3O2S/c20-15(21-16-6-8-19(10-16)9-7-16)18-14-13(22-11-17-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,18,20)
InChIKeyYVIQQWOEWNANFA-UHFFFAOYSA-N
XLogP3.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate?
The IUPAC name of 1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate (CID 59291575) is 1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate?
The canonical SMILES for 1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate is O=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)C2.
What is the InChIKey of 1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate?
The InChIKey is YVIQQWOEWNANFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-15(21-16-6-8-19(10-16)9-7-16)18-14-13(22-11-17-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,18,20).
What are the key properties of 1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate?
1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate has a molecular weight of 315.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate is sourced from PubChem (CID 59291575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).