N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide

C14H16N2O3S — CID 104630575

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1ccc2ncsc2c1
InChIInChI=1S/C14H16N2O3S/c17-8-14(3-5-19-6-4-14)16-13(18)10-1-2-11-12(7-10)20-9-15-11/h1-2,7,9,17H,3-6,8H2,(H,16,18)
InChIKeyPFMFEFKYNVIDGS-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.57
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 104630575) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID104630575
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1ccc2ncsc2c1
InChIInChI=1S/C14H16N2O3S/c17-8-14(3-5-19-6-4-14)16-13(18)10-1-2-11-12(7-10)20-9-15-11/h1-2,7,9,17H,3-6,8H2,(H,16,18)
InChIKeyPFMFEFKYNVIDGS-UHFFFAOYSA-N
XLogP1.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide
CID 106297402
1-(1,3-benzothiazole-6-carbonylamino)cyclobutane-1-carboxylic acid
CID 81157747
N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]-1,3-benzothiazole-6-carboxamide
CID 122243818
N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103954059
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 103954232
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-[(1-aminocycloheptyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 154577575
N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 103954215
3-(1,3-benzothiazole-6-carbonylamino)butanoic acid
CID 43360749
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide
CID 103843357

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide (CID 104630575) is N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide is O=C(NC1(CO)CCOCC1)c1ccc2ncsc2c1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is PFMFEFKYNVIDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-8-14(3-5-19-6-4-14)16-13(18)10-1-2-11-12(7-10)20-9-15-11/h1-2,7,9,17H,3-6,8H2,(H,16,18).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 104630575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).