5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride

C15H18ClN3O3S — CID 75495923

IUPAC5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3ccc(CN)o3)nc2C1.Cl
InChIInChI=1S/C15H17N3O3S.ClH/c1-15(2)5-9-12(10(19)6-15)22-14(17-9)18-13(20)11-4-3-8(7-16)21-11;/h3-4H,5-7,16H2,1-2H3,(H,17,18,20);1H
InChIKeyZTSVMVPAHTZDIL-UHFFFAOYSA-N
MW355.85 g/mol
LogP3.02
Rot. Bonds3

About 5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride

5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride (PubChem CID 75495923) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride
PubChem CID75495923
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3ccc(CN)o3)nc2C1.Cl
InChIInChI=1S/C15H17N3O3S.ClH/c1-15(2)5-9-12(10(19)6-15)22-14(17-9)18-13(20)11-4-3-8(7-16)21-11;/h3-4H,5-7,16H2,1-2H3,(H,17,18,20);1H
InChIKeyZTSVMVPAHTZDIL-UHFFFAOYSA-N
XLogP3.02
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride (CID 75495923) is 5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride is CC1(C)CC(=O)c2sc(NC(=O)c3ccc(CN)o3)nc2C1.Cl.
What is the InChIKey of 5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride?
The InChIKey is ZTSVMVPAHTZDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S.ClH/c1-15(2)5-9-12(10(19)6-15)22-14(17-9)18-13(20)11-4-3-8(7-16)21-11;/h3-4H,5-7,16H2,1-2H3,(H,17,18,20);1H.
What are the key properties of 5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride?
5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride has a molecular weight of 355.85 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 75495923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).