N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide

C12H8ClN3OS2 — CID 43953203

IUPACN'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
SMILESO=C(NNc1nc2ccc(Cl)cc2s1)c1cccs1
InChIInChI=1S/C12H8ClN3OS2/c13-7-3-4-8-10(6-7)19-12(14-8)16-15-11(17)9-2-1-5-18-9/h1-6H,(H,14,16)(H,15,17)
InChIKeyPYSGVEFOPIFICG-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.77
Rot. Bonds3

About N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide

N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide (PubChem CID 43953203) has the molecular formula C12H8ClN3OS2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
PubChem CID43953203
Molecular FormulaC12H8ClN3OS2
Molecular Weight309.80 g/mol
Exact Mass308.98
IUPAC NameN'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
SMILESO=C(NNc1nc2ccc(Cl)cc2s1)c1cccs1
InChIInChI=1S/C12H8ClN3OS2/c13-7-3-4-8-10(6-7)19-12(14-8)16-15-11(17)9-2-1-5-18-9/h1-6H,(H,14,16)(H,15,17)
InChIKeyPYSGVEFOPIFICG-UHFFFAOYSA-N
XLogP3.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.77
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'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953231
N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
CID 7600552
N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953090
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 53268944
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615080
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
N-[[2-(thiophene-2-carbonylcarbamothioylamino)-1,3-benzothiazol-6-yl]carbamothioyl]thiophene-2-carboxamide
CID 17273939
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7524846
2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953194

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide (CID 43953203) is N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide is O=C(NNc1nc2ccc(Cl)cc2s1)c1cccs1.
What is the InChIKey of N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
The InChIKey is PYSGVEFOPIFICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS2/c13-7-3-4-8-10(6-7)19-12(14-8)16-15-11(17)9-2-1-5-18-9/h1-6H,(H,14,16)(H,15,17).
What are the key properties of N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide has a molecular weight of 309.80 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide is sourced from PubChem (CID 43953203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).