N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide

C18H16N4O3S — CID 175055623

IUPACN-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2nc(NC(=O)C3CCCO3)sc2c1)c1cccnc1
InChIInChI=1S/C18H16N4O3S/c23-16(11-3-1-7-19-10-11)20-12-5-6-13-15(9-12)26-18(21-13)22-17(24)14-4-2-8-25-14/h1,3,5-7,9-10,14H,2,4,8H2,(H,20,23)(H,21,22,24)
InChIKeyQNJGFMMROOYROI-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.06
Rot. Bonds4

About N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide

N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide (PubChem CID 175055623) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide
PubChem CID175055623
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2nc(NC(=O)C3CCCO3)sc2c1)c1cccnc1
InChIInChI=1S/C18H16N4O3S/c23-16(11-3-1-7-19-10-11)20-12-5-6-13-15(9-12)26-18(21-13)22-17(24)14-4-2-8-25-14/h1,3,5-7,9-10,14H,2,4,8H2,(H,20,23)(H,21,22,24)
InChIKeyQNJGFMMROOYROI-UHFFFAOYSA-N
XLogP3.06
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 7027208
N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 5084878
2-[[(2S)-oxolane-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 104855773
(2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 734498
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]oxolane-2-carboxamide
CID 108740790
N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 24865983
N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 693354
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
(2S)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]oxolane-2-carboxamide
CID 42344151
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 1265057
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 51719641
(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7268826

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide (CID 175055623) is N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide is O=C(Nc1ccc2nc(NC(=O)C3CCCO3)sc2c1)c1cccnc1.
What is the InChIKey of N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide?
The InChIKey is QNJGFMMROOYROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c23-16(11-3-1-7-19-10-11)20-12-5-6-13-15(9-12)26-18(21-13)22-17(24)14-4-2-8-25-14/h1,3,5-7,9-10,14H,2,4,8H2,(H,20,23)(H,21,22,24).
What are the key properties of N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide?
N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 175055623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).