N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide

C18H15N5OS — CID 124891454

IUPACN-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(N[C@@H](Cn1nccn1)c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C18H15N5OS/c24-17(18-22-14-8-4-5-9-16(14)25-18)21-15(12-23-19-10-11-20-23)13-6-2-1-3-7-13/h1-11,15H,12H2,(H,21,24)/t15-/m0/s1
InChIKeyCPUHVXSTCIPRLM-HNNXBMFYSA-N
MW349.42 g/mol
LogP3.06
Rot. Bonds5

About N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide

N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 124891454) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
PubChem CID124891454
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC NameN-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(N[C@@H](Cn1nccn1)c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C18H15N5OS/c24-17(18-22-14-8-4-5-9-16(14)25-18)21-15(12-23-19-10-11-20-23)13-6-2-1-3-7-13/h1-11,15H,12H2,(H,21,24)/t15-/m0/s1
InChIKeyCPUHVXSTCIPRLM-HNNXBMFYSA-N
XLogP3.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 121176322
N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 121176353
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934
4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide
CID 124876032
5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 121176253
N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
CID 2377381
2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide
CID 124759844
N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide
CID 110488503
[(1S)-2-(1,3-benzothiazole-2-carbonylamino)-1-phenylethyl]-dimethylazanium
CID 2377380
N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide
CID 119101650
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide (CID 124891454) is N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide is O=C(N[C@@H](Cn1nccn1)c1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is CPUHVXSTCIPRLM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15N5OS/c24-17(18-22-14-8-4-5-9-16(14)25-18)21-15(12-23-19-10-11-20-23)13-6-2-1-3-7-13/h1-11,15H,12H2,(H,21,24)/t15-/m0/s1.
What are the key properties of N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 124891454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).