1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol

C15H16N2O4S — CID 137263071

IUPAC1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)C/N=C2\NS(=O)(=O)c3ccccc32)o1
InChIInChI=1S/C15H16N2O4S/c1-10-7-8-13(21-10)15(2,18)9-16-14-11-5-3-4-6-12(11)22(19,20)17-14/h3-8,18H,9H2,1-2H3,(H,16,17)
InChIKeyHQBIJDBZNCMBJS-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.53
Rot. Bonds3

About 1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol

1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 137263071) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol
PubChem CID137263071
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)C/N=C2\NS(=O)(=O)c3ccccc32)o1
InChIInChI=1S/C15H16N2O4S/c1-10-7-8-13(21-10)15(2,18)9-16-14-11-5-3-4-6-12(11)22(19,20)17-14/h3-8,18H,9H2,1-2H3,(H,16,17)
InChIKeyHQBIJDBZNCMBJS-UHFFFAOYSA-N
XLogP1.53
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol 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

2-[[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]methyl]-2-ethylbutan-1-ol
CID 136713679
1,1-dioxo-N-propyl-1,2-benzothiazol-3-imine
CID 135452609
N-[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]-1,1-dioxo-1,2-benzothiazol-3-imine
CID 137266318
N-benzyl-1,1-dioxo-1,2-benzothiazol-3-imine
CID 135401644
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-methylpropanoic acid
CID 135399643
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanamide
CID 135783882
3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-1,1-difluoropropan-2-ol
CID 136794774
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone
CID 137152254
N-(cyclopropylmethyl)-1,1-dioxo-1,2-benzothiazol-3-imine
CID 135914900
N-[2-[[2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]acetyl]amino]ethyl]benzamide
CID 135858581
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-imine
CID 136794518
N-(2-amino-2-ethylbutyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]acetamide
CID 137078563

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of 1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol (CID 137263071) is 1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for 1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for 1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol is Cc1ccc(C(C)(O)C/N=C2\NS(=O)(=O)c3ccccc32)o1.
What is the InChIKey of 1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The InChIKey is HQBIJDBZNCMBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-10-7-8-13(21-10)15(2,18)9-16-14-11-5-3-4-6-12(11)22(19,20)17-14/h3-8,18H,9H2,1-2H3,(H,16,17).
What are the key properties of 1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 320.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 137263071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).