4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide

C17H17N3O3S — CID 126833697

IUPAC4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C17H17N3O3S/c18-16(21)13-10-22-8-7-20(13)9-11-5-6-14(23-11)17-19-12-3-1-2-4-15(12)24-17/h1-6,13H,7-10H2,(H2,18,21)
InChIKeyOBYMWPMISSVRKJ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.24
Rot. Bonds4

About 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide

4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide (PubChem CID 126833697) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide
PubChem CID126833697
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C17H17N3O3S/c18-16(21)13-10-22-8-7-20(13)9-11-5-6-14(23-11)17-19-12-3-1-2-4-15(12)24-17/h1-6,13H,7-10H2,(H2,18,21)
InChIKeyOBYMWPMISSVRKJ-UHFFFAOYSA-N
XLogP2.24
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide (CID 126833697) is 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide is NC(=O)C1COCCN1Cc1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide?
The InChIKey is OBYMWPMISSVRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c18-16(21)13-10-22-8-7-20(13)9-11-5-6-14(23-11)17-19-12-3-1-2-4-15(12)24-17/h1-6,13H,7-10H2,(H2,18,21).
What are the key properties of 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide?
4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 126833697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).