N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide

C13H11N3OS2 — CID 43953090

IUPACN'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
SMILESCc1cccc2sc(NNC(=O)c3cccs3)nc12
InChIInChI=1S/C13H11N3OS2/c1-8-4-2-5-9-11(8)14-13(19-9)16-15-12(17)10-6-3-7-18-10/h2-7H,1H3,(H,14,16)(H,15,17)
InChIKeyAMLUZUJCFCZUBY-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.42
Rot. Bonds3

About N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide

N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide (PubChem CID 43953090) has the molecular formula C13H11N3OS2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
PubChem CID43953090
Molecular FormulaC13H11N3OS2
Molecular Weight289.38 g/mol
Exact Mass289.03
IUPAC NameN'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
SMILESCc1cccc2sc(NNC(=O)c3cccs3)nc12
InChIInChI=1S/C13H11N3OS2/c1-8-4-2-5-9-11(8)14-13(19-9)16-15-12(17)10-6-3-7-18-10/h2-7H,1H3,(H,14,16)(H,15,17)
InChIKeyAMLUZUJCFCZUBY-UHFFFAOYSA-N
XLogP3.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953122
N'-(4-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 15944884
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953231
N-[2-chloro-5-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 4784751
N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 7599897
N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953203
(2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2650203
N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 7599888
N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 958996
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
CID 79146503
N-(2-chloro-6-methylphenyl)thiophene-2-carboxamide
CID 66254505

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide (CID 43953090) is N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide is Cc1cccc2sc(NNC(=O)c3cccs3)nc12.
What is the InChIKey of N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
The InChIKey is AMLUZUJCFCZUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS2/c1-8-4-2-5-9-11(8)14-13(19-9)16-15-12(17)10-6-3-7-18-10/h2-7H,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide has a molecular weight of 289.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide is sourced from PubChem (CID 43953090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).