N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide

C14H13N3OS2 — CID 43953231

IUPACN'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
SMILESCc1cc(C)c2sc(NNC(=O)c3cccs3)nc2c1
InChIInChI=1S/C14H13N3OS2/c1-8-6-9(2)12-10(7-8)15-14(20-12)17-16-13(18)11-4-3-5-19-11/h3-7H,1-2H3,(H,15,17)(H,16,18)
InChIKeyBZZSSJOBFWZQCM-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.73
Rot. Bonds3

About N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide

N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide (PubChem CID 43953231) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
PubChem CID43953231
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC NameN'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
SMILESCc1cc(C)c2sc(NNC(=O)c3cccs3)nc2c1
InChIInChI=1S/C14H13N3OS2/c1-8-6-9(2)12-10(7-8)15-14(20-12)17-16-13(18)11-4-3-5-19-11/h3-7H,1-2H3,(H,15,17)(H,16,18)
InChIKeyBZZSSJOBFWZQCM-UHFFFAOYSA-N
XLogP3.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.73
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'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide
CID 7105680
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide
CID 7105678
N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953090
N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953203
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7600129
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7524846
4-[[(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 18553500
5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4134437
(3S)-N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7105681
N'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953122
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600108

Frequently Asked Questions

What is the IUPAC name of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide (CID 43953231) is N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide is Cc1cc(C)c2sc(NNC(=O)c3cccs3)nc2c1.
What is the InChIKey of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
The InChIKey is BZZSSJOBFWZQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-8-6-9(2)12-10(7-8)15-14(20-12)17-16-13(18)11-4-3-5-19-11/h3-7H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide has a molecular weight of 303.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide is sourced from PubChem (CID 43953231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).