[5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine

C10H10N4O2S2 — CID 79764045

IUPAC[5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(CSc2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C10H10N4O2S2/c11-13-10-12-5-7(18-10)6-17-9-4-2-1-3-8(9)14(15)16/h1-5H,6,11H2,(H,12,13)
InChIKeyKZYMCTAWXMJGAP-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.63
Rot. Bonds5

About [5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine

[5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79764045) has the molecular formula C10H10N4O2S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is [5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79764045
Molecular FormulaC10H10N4O2S2
Molecular Weight282.35 g/mol
Exact Mass282.02
IUPAC Name[5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(CSc2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C10H10N4O2S2/c11-13-10-12-5-7(18-10)6-17-9-4-2-1-3-8(9)14(15)16/h1-5H,6,11H2,(H,12,13)
InChIKeyKZYMCTAWXMJGAP-UHFFFAOYSA-N
XLogP2.63
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-nitrophenyl)sulfanylmethyl]pyridin-2-amine
CID 62187535
5-[(2-nitrophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63580656
[5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764786
N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine
CID 103059899
[5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765188
N-ethyl-3-[(2-nitrophenyl)sulfanylmethyl]pyridin-2-amine
CID 62467315
5-[(2-nitrophenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059897
[5-(3-methylbutan-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine
CID 107756743
2-chloro-4-[(2-nitrophenyl)sulfanylmethyl]pyrimidine
CID 112751189
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide
CID 37035145
[5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765704
5-[(2-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79775075

Frequently Asked Questions

What is the IUPAC name of [5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine (CID 79764045) is [5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(CSc2ccccc2[N+](=O)[O-])s1.
What is the InChIKey of [5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is KZYMCTAWXMJGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S2/c11-13-10-12-5-7(18-10)6-17-9-4-2-1-3-8(9)14(15)16/h1-5H,6,11H2,(H,12,13).
What are the key properties of [5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 282.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79764045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).