(NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine

C12H12ClN3OS — CID 136904763

IUPAC(NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1sc(Nc2ccccc2Cl)nc1C
InChIInChI=1S/C12H12ClN3OS/c1-7-11(8(2)16-17)18-12(14-7)15-10-6-4-3-5-9(10)13/h3-6,17H,1-2H3,(H,14,15)/b16-8-
InChIKeyZAUCSGZMBHAXEU-PXNMLYILSA-N
MW281.77 g/mol
LogP4.05
Rot. Bonds3

About (NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine

(NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine (PubChem CID 136904763) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is (NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine
PubChem CID136904763
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name(NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1sc(Nc2ccccc2Cl)nc1C
InChIInChI=1S/C12H12ClN3OS/c1-7-11(8(2)16-17)18-12(14-7)15-10-6-4-3-5-9(10)13/h3-6,17H,1-2H3,(H,14,15)/b16-8-
InChIKeyZAUCSGZMBHAXEU-PXNMLYILSA-N
XLogP4.05
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine (CID 136904763) is (NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine is C/C(=N/O)c1sc(Nc2ccccc2Cl)nc1C.
What is the InChIKey of (NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine?
The InChIKey is ZAUCSGZMBHAXEU-PXNMLYILSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7-11(8(2)16-17)18-12(14-7)15-10-6-4-3-5-9(10)13/h3-6,17H,1-2H3,(H,14,15)/b16-8-.
What are the key properties of (NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine?
(NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine has a molecular weight of 281.77 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 136904763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).