(2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide

C13H15N5O2S — CID 71626941

IUPAC(2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide
SMILES[H]/N=C(C(=N\OCc1csc(N)n1)/c1ccccc1)\N(C)O
InChIInChI=1S/C13H15N5O2S/c1-18(19)12(14)11(9-5-3-2-4-6-9)17-20-7-10-8-21-13(15)16-10/h2-6,8,14,19H,7H2,1H3,(H2,15,16)/b14-12-,17-11-
InChIKeyCFXSNIPLFCVZAY-JEVNUMMASA-N
MW305.36 g/mol
LogP1.94
Rot. Bonds5

About (2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide

(2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide (PubChem CID 71626941) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is (2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide.

Molecular Properties

Compound Name(2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide
PubChem CID71626941
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name(2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide
SMILES[H]/N=C(C(=N\OCc1csc(N)n1)/c1ccccc1)\N(C)O
InChIInChI=1S/C13H15N5O2S/c1-18(19)12(14)11(9-5-3-2-4-6-9)17-20-7-10-8-21-13(15)16-10/h2-6,8,14,19H,7H2,1H3,(H2,15,16)/b14-12-,17-11-
InChIKeyCFXSNIPLFCVZAY-JEVNUMMASA-N
XLogP1.94
TPSA107.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

(2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide
CID 131735486
2,2-dimethoxyethyl N-[6-[[(Z)-[2-[amino(methyl)amino]-2-imino-1-phenylethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 89349682
oxan-4-yl N-[6-[[(Z)-[2-[amino(methyl)amino]-2-imino-1-phenylethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 89349716
(4,4-dimethoxy-3-methylpentan-2-yl) N-[6-[[(Z)-[2-[diazenyl(methyl)amino]-2-imino-1-phenylethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 89349698
2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide
CID 136626363
4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine
CID 76677915
benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetate
CID 139807125
4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine
CID 87259588
2-(2-amino-1,3-thiazol-4-yl)-2-benzoyloxyiminoacetic acid
CID 139714456
2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]ethanethioic S-acid
CID 154451443
4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine
CID 62273519
4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137858

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide?
The IUPAC name of (2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide (CID 71626941) is (2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide.
What is the SMILES notation for (2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide?
The canonical SMILES for (2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide is [H]/N=C(C(=N\OCc1csc(N)n1)/c1ccccc1)\N(C)O.
What is the InChIKey of (2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide?
The InChIKey is CFXSNIPLFCVZAY-JEVNUMMASA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-18(19)12(14)11(9-5-3-2-4-6-9)17-20-7-10-8-21-13(15)16-10/h2-6,8,14,19H,7H2,1H3,(H2,15,16)/b14-12-,17-11-.
What are the key properties of (2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide?
(2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide has a molecular weight of 305.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide is sourced from PubChem (CID 71626941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).