(2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide

C17H21N5O2S — CID 86750855

IUPAC(2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide
SMILESCO/N=C(/C(=O)NCCc1ccccc1)c1csc(N=CN(C)C)n1
InChIInChI=1S/C17H21N5O2S/c1-22(2)12-19-17-20-14(11-25-17)15(21-24-3)16(23)18-10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,18,23)/b19-12?,21-15+
InChIKeyUTCMTKYKPHMLEV-OXBKUZOJSA-N
MW359.46 g/mol
LogP2.07
Rot. Bonds8

About (2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide

(2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide (PubChem CID 86750855) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is (2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name(2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide
PubChem CID86750855
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name(2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide
SMILESCO/N=C(/C(=O)NCCc1ccccc1)c1csc(N=CN(C)C)n1
InChIInChI=1S/C17H21N5O2S/c1-22(2)12-19-17-20-14(11-25-17)15(21-24-3)16(23)18-10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,18,23)/b19-12?,21-15+
InChIKeyUTCMTKYKPHMLEV-OXBKUZOJSA-N
XLogP2.07
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-(2-phenylethyl)acetamide
CID 54309029
(2Z)-2-hydroxyimino-2-phenyl-N-(2-phenylethyl)acetamide
CID 6401233
N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide
CID 54318882
6-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 84581484
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
2-methoxyimino-2-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 175344426
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
CID 47194043
2-ethynyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 163387836
2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride
CID 142637273
(2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 22827748
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide
CID 53167416

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide?
The IUPAC name of (2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide (CID 86750855) is (2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide.
What is the SMILES notation for (2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide?
The canonical SMILES for (2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide is CO/N=C(/C(=O)NCCc1ccccc1)c1csc(N=CN(C)C)n1.
What is the InChIKey of (2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide?
The InChIKey is UTCMTKYKPHMLEV-OXBKUZOJSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-22(2)12-19-17-20-14(11-25-17)15(21-24-3)16(23)18-10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,18,23)/b19-12?,21-15+.
What are the key properties of (2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide?
(2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide has a molecular weight of 359.46 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyimino-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 86750855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).