N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide

C12H15N3OS — CID 4617775

IUPACN'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
SMILESCCC(=O)NNc1nc2c(C)cc(C)cc2s1
InChIInChI=1S/C12H15N3OS/c1-4-10(16)14-15-12-13-11-8(3)5-7(2)6-9(11)17-12/h5-6H,4H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyYVFPYDOQPYAYNZ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.77
Rot. Bonds3

About N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide

N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide (PubChem CID 4617775) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
PubChem CID4617775
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
SMILESCCC(=O)NNc1nc2c(C)cc(C)cc2s1
InChIInChI=1S/C12H15N3OS/c1-4-10(16)14-15-12-13-11-8(3)5-7(2)6-9(11)17-12/h5-6H,4H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyYVFPYDOQPYAYNZ-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299822
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 35591150
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide
CID 7600331
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600332
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217
2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol
CID 605706
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 17334899
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide
CID 2552481
2-(4-bromophenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 7926926
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfanylphenyl)acetamide
CID 8700897
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7544939

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide?
The IUPAC name of N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide (CID 4617775) is N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide.
What is the SMILES notation for N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide?
The canonical SMILES for N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide is CCC(=O)NNc1nc2c(C)cc(C)cc2s1.
What is the InChIKey of N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide?
The InChIKey is YVFPYDOQPYAYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-4-10(16)14-15-12-13-11-8(3)5-7(2)6-9(11)17-12/h5-6H,4H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide?
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide has a molecular weight of 249.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide is sourced from PubChem (CID 4617775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).