hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide

C18H20N4O2S — CID 156706883

IUPAChydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
SMILESCNc1nc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cs1.NO
InChIInChI=1S/C18H17N3OS.H3NO/c1-19-18-21-16(12-23-18)11-17(22)20-15-9-7-14(8-10-15)13-5-3-2-4-6-13;1-2/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22);2H,1H2
InChIKeyIQJSIBAEDFUKFD-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.37
Rot. Bonds5

About hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide

hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide (PubChem CID 156706883) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Namehydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
PubChem CID156706883
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Namehydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
SMILESCNc1nc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cs1.NO
InChIInChI=1S/C18H17N3OS.H3NO/c1-19-18-21-16(12-23-18)11-17(22)20-15-9-7-14(8-10-15)13-5-3-2-4-6-13;1-2/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22);2H,1H2
InChIKeyIQJSIBAEDFUKFD-UHFFFAOYSA-N
XLogP3.37
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide
CID 110386263
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 110386278
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110386251
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
CID 58795522
2-methylpropyl N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16884027
N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 9164577
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
ethyl 4-[[2-(2-anilino-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 30940427

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide?
The IUPAC name of hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide (CID 156706883) is hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide?
The canonical SMILES for hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide is CNc1nc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cs1.NO.
What is the InChIKey of hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide?
The InChIKey is IQJSIBAEDFUKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS.H3NO/c1-19-18-21-16(12-23-18)11-17(22)20-15-9-7-14(8-10-15)13-5-3-2-4-6-13;1-2/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22);2H,1H2.
What are the key properties of hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide?
hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide has a molecular weight of 356.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 156706883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).