N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide

C19H23N3O2S — CID 59870815

IUPACN-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESC/C(=N/OCc1csc(NC(=O)C2CCCCC2)n1)c1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-14(15-8-4-2-5-9-15)22-24-12-17-13-25-19(20-17)21-18(23)16-10-6-3-7-11-16/h2,4-5,8-9,13,16H,3,6-7,10-12H2,1H3,(H,20,21,23)/b22-14-
InChIKeyRCZZLQFUKIBYDT-HMAPJEAMSA-N
MW357.48 g/mol
LogP4.60
Rot. Bonds6

About N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide

N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide (PubChem CID 59870815) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
PubChem CID59870815
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESC/C(=N/OCc1csc(NC(=O)C2CCCCC2)n1)c1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-14(15-8-4-2-5-9-15)22-24-12-17-13-25-19(20-17)21-18(23)16-10-6-3-7-11-16/h2,4-5,8-9,13,16H,3,6-7,10-12H2,1H3,(H,20,21,23)/b22-14-
InChIKeyRCZZLQFUKIBYDT-HMAPJEAMSA-N
XLogP4.60
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 28803745
2-cyclohexyloxy-N-[4-[[(E)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]acetamide
CID 53247701
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
3,3-dicyclopropyl-N-[4-[[(E)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 66547557
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
(E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 66547205
N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228156
benzyl N-[(1R,3R)-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl]carbamate
CID 99783567
2-cyclohexylidene-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]acetamide
CID 66547204
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51191475
2-[4-[C-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methoxy]carbonimidoyl]phenoxy]-1-phenylethanone
CID 123585211

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide (CID 59870815) is N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide is C/C(=N/OCc1csc(NC(=O)C2CCCCC2)n1)c1ccccc1.
What is the InChIKey of N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is RCZZLQFUKIBYDT-HMAPJEAMSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14(15-8-4-2-5-9-15)22-24-12-17-13-25-19(20-17)21-18(23)16-10-6-3-7-11-16/h2,4-5,8-9,13,16H,3,6-7,10-12H2,1H3,(H,20,21,23)/b22-14-.
What are the key properties of N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide?
N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 357.48 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 59870815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).