N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide

C23H19N3O3S — CID 24586252

IUPACN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide
SMILESO=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H19N3O3S/c27-21(14-7-9-16(10-8-14)25-22(28)15-5-6-15)24-13-17-11-12-19(29-17)23-26-18-3-1-2-4-20(18)30-23/h1-4,7-12,15H,5-6,13H2,(H,24,27)(H,25,28)
InChIKeyJYQFALOMLKLLAO-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.83
Rot. Bonds6

About N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide (PubChem CID 24586252) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide
PubChem CID24586252
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide
SMILESO=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H19N3O3S/c27-21(14-7-9-16(10-8-14)25-22(28)15-5-6-15)24-13-17-11-12-19(29-17)23-26-18-3-1-2-4-20(18)30-23/h1-4,7-12,15H,5-6,13H2,(H,24,27)(H,25,28)
InChIKeyJYQFALOMLKLLAO-UHFFFAOYSA-N
XLogP4.83
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55987216
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]acetamide
CID 46456159
3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119698056
2,2,2-trifluoroethyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 24618821
(4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97084511
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 24586248
(2S,5R)-5-(aminomethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120785081
N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide
CID 38135778
N-[4-(1,3-benzothiazol-2-yl)phenyl]oxane-4-carboxamide
CID 31974129
(2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25417264
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide
CID 119275805

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide (CID 24586252) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide is O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide?
The InChIKey is JYQFALOMLKLLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c27-21(14-7-9-16(10-8-14)25-22(28)15-5-6-15)24-13-17-11-12-19(29-17)23-26-18-3-1-2-4-20(18)30-23/h1-4,7-12,15H,5-6,13H2,(H,24,27)(H,25,28).
What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide?
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide has a molecular weight of 417.49 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 24586252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).