(2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide

C14H17N5O3S — CID 131735486

IUPAC(2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide
SMILES[H]/N=C(C(=N/OCc1csc(N)n1)/c1cccc(OC)c1)\N(C)O
InChIInChI=1S/C14H17N5O3S/c1-19(20)13(15)12(9-4-3-5-11(6-9)21-2)18-22-7-10-8-23-14(16)17-10/h3-6,8,15,20H,7H2,1-2H3,(H2,16,17)/b15-13-,18-12+
InChIKeyCPNQQKDHQGSCNF-JIDJGQAESA-N
MW335.39 g/mol
LogP1.95
Rot. Bonds6

About (2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide

(2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide (PubChem CID 131735486) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is (2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide.

Molecular Properties

Compound Name(2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide
PubChem CID131735486
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name(2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide
SMILES[H]/N=C(C(=N/OCc1csc(N)n1)/c1cccc(OC)c1)\N(C)O
InChIInChI=1S/C14H17N5O3S/c1-19(20)13(15)12(9-4-3-5-11(6-9)21-2)18-22-7-10-8-23-14(16)17-10/h3-6,8,15,20H,7H2,1-2H3,(H2,16,17)/b15-13-,18-12+
InChIKeyCPNQQKDHQGSCNF-JIDJGQAESA-N
XLogP1.95
TPSA117.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

(2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide
CID 71626941
4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine
CID 87259588
3-methoxy-N,N-dimethylbenzenecarboximidamide
CID 63182019
4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 113443676
2-(2-amino-1,3-thiazol-4-yl)-1-(3,5-dimethoxyphenyl)ethanone
CID 116575716
bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride
CID 175111806
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 131894462
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate
CID 16522229
4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
CID 28913045
(3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate
CID 175547229
4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 82304530
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(dimethylamino)benzoate
CID 7667639

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide?
The IUPAC name of (2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide (CID 131735486) is (2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide.
What is the SMILES notation for (2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide?
The canonical SMILES for (2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide is [H]/N=C(C(=N/OCc1csc(N)n1)/c1cccc(OC)c1)\N(C)O.
What is the InChIKey of (2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide?
The InChIKey is CPNQQKDHQGSCNF-JIDJGQAESA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-19(20)13(15)12(9-4-3-5-11(6-9)21-2)18-22-7-10-8-23-14(16)17-10/h3-6,8,15,20H,7H2,1-2H3,(H2,16,17)/b15-13-,18-12+.
What are the key properties of (2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide?
(2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide has a molecular weight of 335.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide is sourced from PubChem (CID 131735486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).