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

C12H8ClN3OS2 — CID 43953122

IUPACN'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
SMILESO=C(NNc1nc2c(Cl)cccc2s1)c1cccs1
InChIInChI=1S/C12H8ClN3OS2/c13-7-3-1-4-8-10(7)14-12(19-8)16-15-11(17)9-5-2-6-18-9/h1-6H,(H,14,16)(H,15,17)
InChIKeyPMRIOQUVWKMBLH-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.77
Rot. Bonds3

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

N'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide (PubChem CID 43953122) has the molecular formula C12H8ClN3OS2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
PubChem CID43953122
Molecular FormulaC12H8ClN3OS2
Molecular Weight309.80 g/mol
Exact Mass308.98
IUPAC NameN'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
SMILESO=C(NNc1nc2c(Cl)cccc2s1)c1cccs1
InChIInChI=1S/C12H8ClN3OS2/c13-7-3-1-4-8-10(7)14-12(19-8)16-15-11(17)9-5-2-6-18-9/h1-6H,(H,14,16)(H,15,17)
InChIKeyPMRIOQUVWKMBLH-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-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953090
N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide
CID 7105594
N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953203
N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599849
(E)-N-(4-chloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 17374448
N-[2-chloro-5-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 4784751
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953231
N-(2-chloro-6-methylphenyl)thiophene-2-carboxamide
CID 66254505
(4-chloro-1,3-benzothiazol-2-yl)hydrazine
CID 2049837
1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
CID 46193181
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4570143
N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 958996

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide (CID 43953122) is N'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide is O=C(NNc1nc2c(Cl)cccc2s1)c1cccs1.
What is the InChIKey of N'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
The InChIKey is PMRIOQUVWKMBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS2/c13-7-3-1-4-8-10(7)14-12(19-8)16-15-11(17)9-5-2-6-18-9/h1-6H,(H,14,16)(H,15,17).
What are the key properties of N'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide?
N'-(4-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'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide is sourced from PubChem (CID 43953122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).