N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

C20H18N2O2S — CID 113202896

IUPACN-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1CCc2ncsc2C1
InChIInChI=1S/C20H18N2O2S/c23-20(14-10-11-17-19(12-14)25-13-21-17)22-16-8-4-5-9-18(16)24-15-6-2-1-3-7-15/h1-9,13-14H,10-12H2,(H,22,23)
InChIKeyINRFUVYCOCCNLV-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.68
Rot. Bonds4

About N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 113202896) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID113202896
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1CCc2ncsc2C1
InChIInChI=1S/C20H18N2O2S/c23-20(14-10-11-17-19(12-14)25-13-21-17)22-16-8-4-5-9-18(16)24-15-6-2-1-3-7-15/h1-9,13-14H,10-12H2,(H,22,23)
InChIKeyINRFUVYCOCCNLV-UHFFFAOYSA-N
XLogP4.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680631
N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680621
2-oxo-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 110682205
N-(2-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680779
N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202857
(5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 10683521
N-[2-oxo-2-(2-phenoxyanilino)ethyl]cyclopropanecarboxamide
CID 42697207
N-(2-phenoxyphenyl)piperidine-2-carboxamide
CID 18071902
1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672214
(3R)-1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40625044
(2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide
CID 6941294

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 113202896) is N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)C1CCc2ncsc2C1.
What is the InChIKey of N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is INRFUVYCOCCNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-20(14-10-11-17-19(12-14)25-13-21-17)22-16-8-4-5-9-18(16)24-15-6-2-1-3-7-15/h1-9,13-14H,10-12H2,(H,22,23).
What are the key properties of N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 113202896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).