[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine

C12H11N3S2 — CID 116970243

IUPAC[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine
SMILESNNCc1nc(-c2csc3ccccc23)cs1
InChIInChI=1S/C12H11N3S2/c13-14-5-12-15-10(7-17-12)9-6-16-11-4-2-1-3-8(9)11/h1-4,6-7,14H,5,13H2
InChIKeyOJHHTKHXGHUJFY-UHFFFAOYSA-N
MW261.38 g/mol
LogP2.99
Rot. Bonds3

About [4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine

[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine (PubChem CID 116970243) has the molecular formula C12H11N3S2 and a molecular weight of 261.38 g/mol. Its IUPAC name is [4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine.

Molecular Properties

Compound Name[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine
PubChem CID116970243
Molecular FormulaC12H11N3S2
Molecular Weight261.38 g/mol
Exact Mass261.04
IUPAC Name[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine
SMILESNNCc1nc(-c2csc3ccccc23)cs1
InChIInChI=1S/C12H11N3S2/c13-14-5-12-15-10(7-17-12)9-6-16-11-4-2-1-3-8(9)11/h1-4,6-7,14H,5,13H2
InChIKeyOJHHTKHXGHUJFY-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-methylphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 53275090
(4-pyridin-4-yl-1,3-thiazol-2-yl)methylhydrazine
CID 116970238
4-(1-benzothiophen-3-yl)-1,3-thiazole-2-carbaldehyde
CID 116867326
[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970211
4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine
CID 116832461
2-[5-(1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102006
2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol
CID 50956839
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64542695
3-(1-benzothiophen-3-yl)-5-chloro-1,2,4-oxadiazole
CID 62698853
2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897806
2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine
CID 117083026
[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970172

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine?
The IUPAC name of [4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine (CID 116970243) is [4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine.
What is the SMILES notation for [4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine?
The canonical SMILES for [4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine is NNCc1nc(-c2csc3ccccc23)cs1.
What is the InChIKey of [4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine?
The InChIKey is OJHHTKHXGHUJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S2/c13-14-5-12-15-10(7-17-12)9-6-16-11-4-2-1-3-8(9)11/h1-4,6-7,14H,5,13H2.
What are the key properties of [4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine?
[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine has a molecular weight of 261.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine is sourced from PubChem (CID 116970243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).