N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine

C20H24N4O2S — CID 3468738

IUPACN-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCCCN(CCC)c1ccc(C=NNC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C20H24N4O2S/c1-3-13-24(14-4-2)17-11-9-16(10-12-17)15-21-22-20-18-7-5-6-8-19(18)27(25,26)23-20/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeySIIOCBAIFONPTL-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.39
Rot. Bonds7

About N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine

N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine (PubChem CID 3468738) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
PubChem CID3468738
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCCCN(CCC)c1ccc(C=NNC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C20H24N4O2S/c1-3-13-24(14-4-2)17-11-9-16(10-12-17)15-21-22-20-18-7-5-6-8-19(18)27(25,26)23-20/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeySIIOCBAIFONPTL-UHFFFAOYSA-N
XLogP3.39
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate
CID 3667454
2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136912815
N-[[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]phenyl]methylideneamino]aniline
CID 169382806
1-N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 2290434
3-propyl-1,2-benzothiazole 1,1-dioxide
CID 135384944
N-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 9259188
N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 1215797
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine
CID 6085383
2-N,3-N-bis[[4-(diethylamino)phenyl]methylideneamino]quinoxaline-2,3-diamine
CID 3339070
N-cyclohexyl-3-[[(E)-[4-(diethylamino)phenyl]methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide
CID 21229802
2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide
CID 71950785
[[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]phenyl]methylideneamino]urea
CID 168532831

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine?
The IUPAC name of N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine (CID 3468738) is N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine?
The canonical SMILES for N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine is CCCN(CCC)c1ccc(C=NNC2=NS(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine?
The InChIKey is SIIOCBAIFONPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-3-13-24(14-4-2)17-11-9-16(10-12-17)15-21-22-20-18-7-5-6-8-19(18)27(25,26)23-20/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine?
N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine has a molecular weight of 384.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine is sourced from PubChem (CID 3468738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).