2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

C13H15N5O3S2 — CID 87899918

IUPAC2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCON=C(C(=O)Nc1ncc(C(C)C)s1)c1csc(NC=O)n1
InChIInChI=1S/C13H15N5O3S2/c1-7(2)9-4-14-13(23-9)17-11(20)10(18-21-3)8-5-22-12(16-8)15-6-19/h4-7H,1-3H3,(H,14,17,20)(H,15,16,19)
InChIKeyHMADOBPZKKYPMR-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.28
Rot. Bonds7

About 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 87899918) has the molecular formula C13H15N5O3S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID87899918
Molecular FormulaC13H15N5O3S2
Molecular Weight353.43 g/mol
Exact Mass353.06
IUPAC Name2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCON=C(C(=O)Nc1ncc(C(C)C)s1)c1csc(NC=O)n1
InChIInChI=1S/C13H15N5O3S2/c1-7(2)9-4-14-13(23-9)17-11(20)10(18-21-3)8-5-22-12(16-8)15-6-19/h4-7H,1-3H3,(H,14,17,20)(H,15,16,19)
InChIKeyHMADOBPZKKYPMR-UHFFFAOYSA-N
XLogP2.28
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride
CID 173181360
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 11118700
(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-propan-2-yloxyiminoacetamide
CID 88730387
N-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 54438705
1,3-di(propan-2-yloxy)propan-2-yl (6R)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylate
CID 173422368
(2S,3S)-2-azido-3-[[2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid
CID 56633955
2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 54458077
methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 54179551
(6S)-3-(2-chloroethenyl)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 56620023
(2E)-2-methoxyimino-2-[2-(2-methylpropoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 22827749
tert-butyl 2-[[2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]propanoate
CID 142637276
(2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 141367897

Frequently Asked Questions

What is the IUPAC name of 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 87899918) is 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is CON=C(C(=O)Nc1ncc(C(C)C)s1)c1csc(NC=O)n1.
What is the InChIKey of 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HMADOBPZKKYPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3S2/c1-7(2)9-4-14-13(23-9)17-11(20)10(18-21-3)8-5-22-12(16-8)15-6-19/h4-7H,1-3H3,(H,14,17,20)(H,15,16,19).
What are the key properties of 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 353.43 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 87899918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).