[2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone

C22H22N4OS — CID 132553382

IUPAC[2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(Nc2ccccc2)nc1NN=C1CCCCC1
InChIInChI=1S/C22H22N4OS/c27-19(16-10-4-1-5-11-16)20-21(26-25-18-14-8-3-9-15-18)24-22(28-20)23-17-12-6-2-7-13-17/h1-2,4-7,10-13,26H,3,8-9,14-15H2,(H,23,24)
InChIKeyIUPDKVJPAQGMDI-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.85
Rot. Bonds6

About [2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone

[2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 132553382) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is [2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID132553382
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name[2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(Nc2ccccc2)nc1NN=C1CCCCC1
InChIInChI=1S/C22H22N4OS/c27-19(16-10-4-1-5-11-16)20-21(26-25-18-14-8-3-9-15-18)24-22(28-20)23-17-12-6-2-7-13-17/h1-2,4-7,10-13,26H,3,8-9,14-15H2,(H,23,24)
InChIKeyIUPDKVJPAQGMDI-UHFFFAOYSA-N
XLogP5.85
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
[2-anilino-4-(diethoxymethyl)-1,3-thiazol-5-yl]-phenylmethanone
CID 10762465
(2-anilinocyclohexen-1-yl)-phenylmethanone
CID 23578657
[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 50761385
phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
CID 12568925
N-(cyclododecylideneamino)benzamide
CID 4147051
(2-anilino-4-methyl-1,3-thiazol-5-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 2814833
(2-anilino-1,3-thiazol-5-yl)-phenylmethanone
CID 1482526
N-(cycloheptylideneamino)phthalazin-1-amine
CID 4855843
2-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-1-(azepan-1-yl)ethanone
CID 90931288
N-(cyclopentylideneamino)phthalazin-1-amine
CID 7930061

Frequently Asked Questions

What is the IUPAC name of [2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone (CID 132553382) is [2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1sc(Nc2ccccc2)nc1NN=C1CCCCC1.
What is the InChIKey of [2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is IUPDKVJPAQGMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c27-19(16-10-4-1-5-11-16)20-21(26-25-18-14-8-3-9-15-18)24-22(28-20)23-17-12-6-2-7-13-17/h1-2,4-7,10-13,26H,3,8-9,14-15H2,(H,23,24).
What are the key properties of [2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone?
[2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 390.51 g/mol, XLogP of 5.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-anilino-4-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 132553382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).