(2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H16N2O3S — CID 25417264

IUPAC(2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C21H16N2O3S/c24-20(18-11-13-5-1-3-7-16(13)26-18)22-12-14-9-10-17(25-14)21-23-15-6-2-4-8-19(15)27-21/h1-10,18H,11-12H2,(H,22,24)/t18-/m0/s1
InChIKeyMTVLLZPQKPKHBO-SFHVURJKSA-N
MW376.44 g/mol
LogP4.18
Rot. Bonds4

About (2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 25417264) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is (2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID25417264
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name(2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C21H16N2O3S/c24-20(18-11-13-5-1-3-7-16(13)26-18)22-12-14-9-10-17(25-14)21-23-15-6-2-4-8-19(15)27-21/h1-10,18H,11-12H2,(H,22,24)/t18-/m0/s1
InChIKeyMTVLLZPQKPKHBO-SFHVURJKSA-N
XLogP4.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120785081
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42896023
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
(4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97084511
3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119698056
tert-butyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 52545787
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55987216
(2R,3S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920446
4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
CID 120559538
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide
CID 119275805
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892932
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide
CID 24586252

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 25417264) is (2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of (2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is MTVLLZPQKPKHBO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-20(18-11-13-5-1-3-7-16(13)26-18)22-12-14-9-10-17(25-14)21-23-15-6-2-4-8-19(15)27-21/h1-10,18H,11-12H2,(H,22,24)/t18-/m0/s1.
What are the key properties of (2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25417264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).