N-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide

C19H18N2O2S — CID 31974129

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCOCC1
InChIInChI=1S/C19H18N2O2S/c22-18(13-9-11-23-12-10-13)20-15-7-5-14(6-8-15)19-21-16-3-1-2-4-17(16)24-19/h1-8,13H,9-12H2,(H,20,22)
InChIKeyAKHYSOKNBOKXJA-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.33
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide (PubChem CID 31974129) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide
PubChem CID31974129
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCOCC1
InChIInChI=1S/C19H18N2O2S/c22-18(13-9-11-23-12-10-13)20-15-7-5-14(6-8-15)19-21-16-3-1-2-4-17(16)24-19/h1-8,13H,9-12H2,(H,20,22)
InChIKeyAKHYSOKNBOKXJA-UHFFFAOYSA-N
XLogP4.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 16599200
N-[5-(1,3-benzothiazol-2-yl)-2H-pyrrol-4-yl]oxane-4-carboxamide
CID 158377370
N-[3-[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46409447
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide
CID 57393591
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46636011
N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
CID 960347
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methylprop-2-enamide
CID 9349652
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide
CID 24586252
N-[4-(1,3-benzothiazol-2-yl)phenyl]-5-bromopentanamide
CID 68701204

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide (CID 31974129) is N-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCOCC1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide?
The InChIKey is AKHYSOKNBOKXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-18(13-9-11-23-12-10-13)20-15-7-5-14(6-8-15)19-21-16-3-1-2-4-17(16)24-19/h1-8,13H,9-12H2,(H,20,22).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 31974129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).