4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide

C18H20N4O2S — CID 43953257

IUPAC4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1ccc(C)c2sc(NNC(=O)c3ccc(N(C)C)cc3)nc12
InChIInChI=1S/C18H20N4O2S/c1-11-5-10-14(24-4)15-16(11)25-18(19-15)21-20-17(23)12-6-8-13(9-7-12)22(2)3/h5-10H,1-4H3,(H,19,21)(H,20,23)
InChIKeyLGHBQERQCYAZBQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.44
Rot. Bonds5

About 4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide

4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide (PubChem CID 43953257) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide
PubChem CID43953257
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1ccc(C)c2sc(NNC(=O)c3ccc(N(C)C)cc3)nc12
InChIInChI=1S/C18H20N4O2S/c1-11-5-10-14(24-4)15-16(11)25-18(19-15)21-20-17(23)12-6-8-13(9-7-12)22(2)3/h5-10H,1-4H3,(H,19,21)(H,20,23)
InChIKeyLGHBQERQCYAZBQ-UHFFFAOYSA-N
XLogP3.44
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylamino)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7152602
2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953256
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide
CID 7590088
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide
CID 43953289
4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953148
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 5205718
2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7193103
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
3,4,5-triethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 40885029
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
CID 82549536
3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192662

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide?
The IUPAC name of 4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide (CID 43953257) is 4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide.
What is the SMILES notation for 4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide?
The canonical SMILES for 4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide is COc1ccc(C)c2sc(NNC(=O)c3ccc(N(C)C)cc3)nc12.
What is the InChIKey of 4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide?
The InChIKey is LGHBQERQCYAZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-5-10-14(24-4)15-16(11)25-18(19-15)21-20-17(23)12-6-8-13(9-7-12)22(2)3/h5-10H,1-4H3,(H,19,21)(H,20,23).
What are the key properties of 4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide?
4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide has a molecular weight of 356.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide is sourced from PubChem (CID 43953257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).