N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C16H18N4OS — CID 119458360

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cnc(-c2ccccn2)s1
InChIInChI=1S/C16H18N4OS/c21-15(20-12-7-10-4-5-11(8-12)19-10)14-9-18-16(22-14)13-3-1-2-6-17-13/h1-3,6,9-12,19H,4-5,7-8H2,(H,20,21)
InChIKeyMJWUOQGKJRLSPI-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.22
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 119458360) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID119458360
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cnc(-c2ccccn2)s1
InChIInChI=1S/C16H18N4OS/c21-15(20-12-7-10-4-5-11(8-12)19-10)14-9-18-16(22-14)13-3-1-2-6-17-13/h1-3,6,9-12,19H,4-5,7-8H2,(H,20,21)
InChIKeyMJWUOQGKJRLSPI-UHFFFAOYSA-N
XLogP2.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 119458360) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is O=C(NC1CC2CCC(C1)N2)c1cnc(-c2ccccn2)s1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is MJWUOQGKJRLSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-15(20-12-7-10-4-5-11(8-12)19-10)14-9-18-16(22-14)13-3-1-2-6-17-13/h1-3,6,9-12,19H,4-5,7-8H2,(H,20,21).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119458360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).