(2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide

C11H19N5O2S — CID 40690239

IUPAC(2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide
SMILESCCN(CC)CCNC(=O)/C(=N\O)c1csc(N)n1
InChIInChI=1S/C11H19N5O2S/c1-3-16(4-2)6-5-13-10(17)9(15-18)8-7-19-11(12)14-8/h7,18H,3-6H2,1-2H3,(H2,12,14)(H,13,17)/b15-9-
InChIKeyJZWMJCNWXVSXSQ-DHDCSXOGSA-N
MW285.37 g/mol
LogP0.36
Rot. Bonds7

About (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide (PubChem CID 40690239) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide
PubChem CID40690239
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name(2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide
SMILESCCN(CC)CCNC(=O)/C(=N\O)c1csc(N)n1
InChIInChI=1S/C11H19N5O2S/c1-3-16(4-2)6-5-13-10(17)9(15-18)8-7-19-11(12)14-8/h7,18H,3-6H2,1-2H3,(H2,12,14)(H,13,17)/b15-9-
InChIKeyJZWMJCNWXVSXSQ-DHDCSXOGSA-N
XLogP0.36
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl](15N)amino]acetic acid
CID 172922622
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide
CID 71965716
2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 62788191
3-[(2-amino-1,3-thiazole-4-carbonyl)-ethylamino]propanoic acid
CID 62788466
N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide
CID 6803126
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide
CID 71965749
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-(2-phenylethyl)acetamide
CID 54309029
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide
CID 59874410
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262
ethyl 4-[2-(diethylamino)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697620
2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
CID 62788074

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide?
The IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide (CID 40690239) is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide.
What is the SMILES notation for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide?
The canonical SMILES for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide is CCN(CC)CCNC(=O)/C(=N\O)c1csc(N)n1.
What is the InChIKey of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide?
The InChIKey is JZWMJCNWXVSXSQ-DHDCSXOGSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-3-16(4-2)6-5-13-10(17)9(15-18)8-7-19-11(12)14-8/h7,18H,3-6H2,1-2H3,(H2,12,14)(H,13,17)/b15-9-.
What are the key properties of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide?
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.36, 7 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)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide is sourced from PubChem (CID 40690239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).