N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide

C16H17N3OS — CID 59113572

IUPACN-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@H]1CN2CC[C@@H]1C2)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H17N3OS/c20-15(18-13-10-19-7-6-12(13)9-19)14-8-17-16(21-14)11-4-2-1-3-5-11/h1-5,8,12-13H,6-7,9-10H2,(H,18,20)/t12-,13+/m1/s1
InChIKeyZWLHCHFUZMWRJM-OLZOCXBDSA-N
MW299.40 g/mol
LogP2.24
Rot. Bonds3

About N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 59113572) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID59113572
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@H]1CN2CC[C@@H]1C2)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H17N3OS/c20-15(18-13-10-19-7-6-12(13)9-19)14-8-17-16(21-14)11-4-2-1-3-5-11/h1-5,8,12-13H,6-7,9-10H2,(H,18,20)/t12-,13+/m1/s1
InChIKeyZWLHCHFUZMWRJM-OLZOCXBDSA-N
XLogP2.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-bromophenyl)-1,3-thiazole-5-carboxamide
CID 70026256
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxamide
CID 18181077
2-(2-aminophenyl)-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3-thiazole-5-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 70163922
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide
CID 22350586
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-hydroxyphenyl)-1,3-thiazole-2-carboxamide
CID 20815096
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-5-phenylfuran-2-carboxamide
CID 59113576
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 20815167
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 59923485
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 23599499
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 10271460
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 59113572) is N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide is O=C(N[C@H]1CN2CC[C@@H]1C2)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZWLHCHFUZMWRJM-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H17N3OS/c20-15(18-13-10-19-7-6-12(13)9-19)14-8-17-16(21-14)11-4-2-1-3-5-11/h1-5,8,12-13H,6-7,9-10H2,(H,18,20)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59113572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).