(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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Related Compounds

methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916398
1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4185103
3-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82161959
N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2368851
N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 53338366
N-(2-chlorophenyl)-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide
CID 857290
2-[(4-chlorobenzoyl)amino]-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468203
1-[(E)-1-[2-(3-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-3-phenylthiourea
CID 167713850
N-(2-chlorophenyl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 1468215
2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol
CID 91173967
4-methyl-2-(2-propan-2-ylanilino)-1,3-thiazole-5-carboxylate
CID 9154495
5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
CID 123973033

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).