5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide

C21H23N3O3S2 — CID 51941830

IUPAC5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C21H23N3O3S2/c25-19(22-13-21(7-12-28-14-21)24-8-10-26-11-9-24)16-5-6-17(27-16)20-23-15-3-1-2-4-18(15)29-20/h1-6H,7-14H2,(H,22,25)/t21-/m0/s1
InChIKeyIPONHFTYNPLWMP-NRFANRHFSA-N
MW429.57 g/mol
LogP3.49
Rot. Bonds5

About 5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide (PubChem CID 51941830) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide
PubChem CID51941830
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C21H23N3O3S2/c25-19(22-13-21(7-12-28-14-21)24-8-10-26-11-9-24)16-5-6-17(27-16)20-23-15-3-1-2-4-18(15)29-20/h1-6H,7-14H2,(H,22,25)/t21-/m0/s1
InChIKeyIPONHFTYNPLWMP-NRFANRHFSA-N
XLogP3.49
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 9451759
5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
CID 55479527
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide
CID 55501236
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 60572100
5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
CID 55329409
5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide
CID 49067839
5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 4877165
5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide
CID 39155566

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide (CID 51941830) is 5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide is O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide?
The InChIKey is IPONHFTYNPLWMP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c25-19(22-13-21(7-12-28-14-21)24-8-10-26-11-9-24)16-5-6-17(27-16)20-23-15-3-1-2-4-18(15)29-20/h1-6H,7-14H2,(H,22,25)/t21-/m0/s1.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 51941830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).