2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide

C19H23N3O5S — CID 45169454

IUPAC2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
SMILESCC(C)OCCCNC(=O)C1CC(=O)c2sc(NC(=O)c3ccco3)nc2C1
InChIInChI=1S/C19H23N3O5S/c1-11(2)26-8-4-6-20-17(24)12-9-13-16(14(23)10-12)28-19(21-13)22-18(25)15-5-3-7-27-15/h3,5,7,11-12H,4,6,8-10H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyBYNIAJWGBGZJPL-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.66
Rot. Bonds8

About 2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide

2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide (PubChem CID 45169454) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
PubChem CID45169454
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
SMILESCC(C)OCCCNC(=O)C1CC(=O)c2sc(NC(=O)c3ccco3)nc2C1
InChIInChI=1S/C19H23N3O5S/c1-11(2)26-8-4-6-20-17(24)12-9-13-16(14(23)10-12)28-19(21-13)22-18(25)15-5-3-7-27-15/h3,5,7,11-12H,4,6,8-10H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyBYNIAJWGBGZJPL-UHFFFAOYSA-N
XLogP2.66
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-1-[2-(furan-2-carbonylamino)-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carbonyl]pyrrolidine-2-carboxylate
CID 45247370
N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 41230385
N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 55488982
N-[furan-2-yl(phenyl)methyl]-2-[(2-methoxyacetyl)amino]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
CID 126463738
(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 35823539
(5S)-2-(furan-3-carbonylamino)-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
CID 42434641
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 976760
(5S)-2-[(3-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
CID 125167765
N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578122
2-benzamido-N-methyl-7-oxo-N-propan-2-yl-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
CID 45177633
(5S)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-[[(3R)-3-methylpentanoyl]amino]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
CID 42321973
(5R)-2-[(2-chloro-6-fluorobenzoyl)amino]-N-[(3,5-difluorophenyl)methyl]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
CID 42368181

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide (CID 45169454) is 2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide is CC(C)OCCCNC(=O)C1CC(=O)c2sc(NC(=O)c3ccco3)nc2C1.
What is the InChIKey of 2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide?
The InChIKey is BYNIAJWGBGZJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-11(2)26-8-4-6-20-17(24)12-9-13-16(14(23)10-12)28-19(21-13)22-18(25)15-5-3-7-27-15/h3,5,7,11-12H,4,6,8-10H2,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of 2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide?
2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)-7-oxo-N-(3-propan-2-yloxypropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 45169454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).