N-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide

C12H15N3O3S — CID 54475214

IUPACN-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide
SMILESO=CNc1nc(C(C=O)=NOC2CCCCC2)cs1
InChIInChI=1S/C12H15N3O3S/c16-6-10(11-7-19-12(14-11)13-8-17)15-18-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,13,14,17)
InChIKeyVJGZLBIHOYINSB-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.96
Rot. Bonds6

About N-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide

N-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide (PubChem CID 54475214) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide
PubChem CID54475214
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide
SMILESO=CNc1nc(C(C=O)=NOC2CCCCC2)cs1
InChIInChI=1S/C12H15N3O3S/c16-6-10(11-7-19-12(14-11)13-8-17)15-18-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,13,14,17)
InChIKeyVJGZLBIHOYINSB-UHFFFAOYSA-N
XLogP1.96
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
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

2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde
CID 54342715
(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-(thietan-3-yloxyimino)acetic acid
CID 14326067
2-(2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid;hydrate
CID 162317113
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride
CID 173181360
(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde
CID 173377652
2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 54458077
(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-propan-2-yloxyiminoacetamide
CID 88730387
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 11118700
(2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 21286885
(6R,7R)-7-[[(2Z)-2-cyclopropyloxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 88502814
2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoethanethioic S-acid
CID 54129320
2-butoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 54132484

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide?
The IUPAC name of N-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide (CID 54475214) is N-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for N-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide?
The canonical SMILES for N-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide is O=CNc1nc(C(C=O)=NOC2CCCCC2)cs1.
What is the InChIKey of N-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide?
The InChIKey is VJGZLBIHOYINSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-6-10(11-7-19-12(14-11)13-8-17)15-18-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,13,14,17).
What are the key properties of N-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide?
N-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide has a molecular weight of 281.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 54475214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).