N'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide

C24H22N4O2S — CID 108529092

IUPACN'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)C(=O)Nc4cccc(N(C)C)c4)cc3)sc2c1
InChIInChI=1S/C24H22N4O2S/c1-15-7-12-20-21(13-15)31-24(27-20)16-8-10-17(11-9-16)25-22(29)23(30)26-18-5-4-6-19(14-18)28(2)3/h4-14H,1-3H3,(H,25,29)(H,26,30)
InChIKeyPOLIDFOOWMNLDL-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.91
Rot. Bonds4

About N'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide

N'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide (PubChem CID 108529092) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
PubChem CID108529092
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)C(=O)Nc4cccc(N(C)C)c4)cc3)sc2c1
InChIInChI=1S/C24H22N4O2S/c1-15-7-12-20-21(13-15)31-24(27-20)16-8-10-17(11-9-16)25-22(29)23(30)26-18-5-4-6-19(14-18)28(2)3/h4-14H,1-3H3,(H,25,29)(H,26,30)
InChIKeyPOLIDFOOWMNLDL-UHFFFAOYSA-N
XLogP4.91
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 108888002
N'-(2,5-dimethylphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
CID 108531006
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
N-ethyl-N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
CID 108521482
N'-(5-chloro-2-methylphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
CID 108511841
N'-(2-aminobenzoyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
CID 108529403
2-iodo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 5155423
2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-phenylprop-2-enamide
CID 4126605
N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide
CID 108518396
(2S)-2-(3-acetamidoanilino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide
CID 25353707
(Z)-3-methyl-4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobut-2-enoate
CID 7344025
N-(5-hydroxypentyl)-N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
CID 108525845

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide?
The IUPAC name of N'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide (CID 108529092) is N'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide.
What is the SMILES notation for N'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide?
The canonical SMILES for N'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide is Cc1ccc2nc(-c3ccc(NC(=O)C(=O)Nc4cccc(N(C)C)c4)cc3)sc2c1.
What is the InChIKey of N'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide?
The InChIKey is POLIDFOOWMNLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-15-7-12-20-21(13-15)31-24(27-20)16-8-10-17(11-9-16)25-22(29)23(30)26-18-5-4-6-19(14-18)28(2)3/h4-14H,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide?
N'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide has a molecular weight of 430.53 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide is sourced from PubChem (CID 108529092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).