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

C17H19N3OS — CID 22350586

IUPACN-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NC2CN3CCC2C3)sc1-c1ccccc1
InChIInChI=1S/C17H19N3OS/c1-11-15(12-5-3-2-4-6-12)22-17(18-11)16(21)19-14-10-20-8-7-13(14)9-20/h2-6,13-14H,7-10H2,1H3,(H,19,21)
InChIKeyOFLOOLOOGWSWGG-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.55
Rot. Bonds3

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

N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide (PubChem CID 22350586) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide
PubChem CID22350586
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NC2CN3CCC2C3)sc1-c1ccccc1
InChIInChI=1S/C17H19N3OS/c1-11-15(12-5-3-2-4-6-12)22-17(18-11)16(21)19-14-10-20-8-7-13(14)9-20/h2-6,13-14H,7-10H2,1H3,(H,19,21)
InChIKeyOFLOOLOOGWSWGG-UHFFFAOYSA-N
XLogP2.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide
CID 119071573
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CID 59113572
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-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxy-5-phenylthiophene-2-carboxamide
CID 18180378
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
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N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-5-phenylbenzamide
CID 11415960
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-methylimidazo[1,2-a]pyridine-7-carboxamide
CID 22565551
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(benzenesulfinyl)-1,3,4-thiadiazole-2-carboxamide
CID 10292145
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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide (CID 22350586) is N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide is Cc1nc(C(=O)NC2CN3CCC2C3)sc1-c1ccccc1.
What is the InChIKey of N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide?
The InChIKey is OFLOOLOOGWSWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11-15(12-5-3-2-4-6-12)22-17(18-11)16(21)19-14-10-20-8-7-13(14)9-20/h2-6,13-14H,7-10H2,1H3,(H,19,21).
What are the key properties of N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide?
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 22350586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).