N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide

C12H17N3OS — CID 70498439

IUPACN-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide
SMILESN[C@@]12CCC[C@@](NC(=O)c3nccs3)(CC1)C2
InChIInChI=1S/C12H17N3OS/c13-11-2-1-3-12(8-11,5-4-11)15-9(16)10-14-6-7-17-10/h6-7H,1-5,8,13H2,(H,15,16)/t11-,12+/m0/s1
InChIKeyDLMVROLAOSGLNR-NWDGAFQWSA-N
MW251.35 g/mol
LogP1.68
Rot. Bonds2

About N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide

N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide (PubChem CID 70498439) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide
PubChem CID70498439
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide
SMILESN[C@@]12CCC[C@@](NC(=O)c3nccs3)(CC1)C2
InChIInChI=1S/C12H17N3OS/c13-11-2-1-3-12(8-11,5-4-11)15-9(16)10-14-6-7-17-10/h6-7H,1-5,8,13H2,(H,15,16)/t11-,12+/m0/s1
InChIKeyDLMVROLAOSGLNR-NWDGAFQWSA-N
XLogP1.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide (CID 70498439) is N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide is N[C@@]12CCC[C@@](NC(=O)c3nccs3)(CC1)C2.
What is the InChIKey of N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide?
The InChIKey is DLMVROLAOSGLNR-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-11-2-1-3-12(8-11,5-4-11)15-9(16)10-14-6-7-17-10/h6-7H,1-5,8,13H2,(H,15,16)/t11-,12+/m0/s1.
What are the key properties of N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide?
N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 70498439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).