2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide

C9H10N6O2S — CID 173292242

IUPAC2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide
SMILESNC(=O)C=NOC(c1csc(N)n1)c1cnc[nH]1
InChIInChI=1S/C9H10N6O2S/c10-7(16)2-14-17-8(5-1-12-4-13-5)6-3-18-9(11)15-6/h1-4,8H,(H2,10,16)(H2,11,15)(H,12,13)
InChIKeyMRDHLWNYQYCVRB-UHFFFAOYSA-N
MW266.29 g/mol
LogP0.03
Rot. Bonds5

About 2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide

2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide (PubChem CID 173292242) has the molecular formula C9H10N6O2S and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide
PubChem CID173292242
Molecular FormulaC9H10N6O2S
Molecular Weight266.29 g/mol
Exact Mass266.06
IUPAC Name2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide
SMILESNC(=O)C=NOC(c1csc(N)n1)c1cnc[nH]1
InChIInChI=1S/C9H10N6O2S/c10-7(16)2-14-17-8(5-1-12-4-13-5)6-3-18-9(11)15-6/h1-4,8H,(H2,10,16)(H2,11,15)(H,12,13)
InChIKeyMRDHLWNYQYCVRB-UHFFFAOYSA-N
XLogP0.03
TPSA132.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate
CID 88775732
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde
CID 54337328
2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid
CID 88674415
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid
CID 13490301
2-(2-amino-1,3-thiazol-4-yl)-3-(2-oxoethylideneamino)oxypropanoic acid
CID 54442886
chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate
CID 174643774
(2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate
CID 151561122
5-[(4-bromothiophen-3-yl)-methoxymethyl]-1H-imidazole;(E)-but-2-enedioate
CID 24848620
3-amino-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]-3-imino-2-methylpropanamide
CID 88781852
[(2-amino-1,3-thiazol-4-yl)methylideneamino] 2-chloroacetate
CID 74054264
(2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate
CID 88605381
4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide (CID 173292242) is 2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide is NC(=O)C=NOC(c1csc(N)n1)c1cnc[nH]1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide?
The InChIKey is MRDHLWNYQYCVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2S/c10-7(16)2-14-17-8(5-1-12-4-13-5)6-3-18-9(11)15-6/h1-4,8H,(H2,10,16)(H2,11,15)(H,12,13).
What are the key properties of 2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide?
2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide has a molecular weight of 266.29 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide is sourced from PubChem (CID 173292242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).