formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine

C7H11N3O3S — CID 143798534

IUPACformic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine
SMILESCO/N=C(/C)c1csc(N)n1.O=CO
InChIInChI=1S/C6H9N3OS.CH2O2/c1-4(9-10-2)5-3-11-6(7)8-5;2-1-3/h3H,1-2H3,(H2,7,8);1H,(H,2,3)/b9-4-;
InChIKeyIROFMTOVHFMDQS-WONROIIJSA-N
MW217.25 g/mol
LogP0.80
Rot. Bonds2

About formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine

formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine (PubChem CID 143798534) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Nameformic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine
PubChem CID143798534
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Nameformic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine
SMILESCO/N=C(/C)c1csc(N)n1.O=CO
InChIInChI=1S/C6H9N3OS.CH2O2/c1-4(9-10-2)5-3-11-6(7)8-5;2-1-3/h3H,1-2H3,(H2,7,8);1H,(H,2,3)/b9-4-;
InChIKeyIROFMTOVHFMDQS-WONROIIJSA-N
XLogP0.80
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
CID 74007850
2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
CID 149383039
2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
CID 123144089
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 53423102
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioic S-acid;benzene
CID 174852867
bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 174309981
[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino] acetate;hydrochloride
CID 173328126
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
ethyl (2Z)-3-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-3-oxopropanoate
CID 11777216
methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 90408096
2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol
CID 145366322
methyl 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxyacetate
CID 173396102

Frequently Asked Questions

What is the IUPAC name of formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine?
The IUPAC name of formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine (CID 143798534) is formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine.
What is the SMILES notation for formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine?
The canonical SMILES for formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine is CO/N=C(/C)c1csc(N)n1.O=CO.
What is the InChIKey of formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine?
The InChIKey is IROFMTOVHFMDQS-WONROIIJSA-N. The full InChI is InChI=1S/C6H9N3OS.CH2O2/c1-4(9-10-2)5-3-11-6(7)8-5;2-1-3/h3H,1-2H3,(H2,7,8);1H,(H,2,3)/b9-4-;.
What are the key properties of formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine?
formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine has a molecular weight of 217.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 143798534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).