N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine

C26H30N2O2S — CID 122658332

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine
SMILESCc1csc(CN(Oc2ccc3c(c2)CCC(c2ccccc2)O3)C2CCCCC2)n1
InChIInChI=1S/C26H30N2O2S/c1-19-18-31-26(27-19)17-28(22-10-6-3-7-11-22)30-23-13-15-25-21(16-23)12-14-24(29-25)20-8-4-2-5-9-20/h2,4-5,8-9,13,15-16,18,22,24H,3,6-7,10-12,14,17H2,1H3
InChIKeyDZYMNAGKCFOLFO-UHFFFAOYSA-N
MW434.61 g/mol
LogP6.65
Rot. Bonds6

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine (PubChem CID 122658332) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine
PubChem CID122658332
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine
SMILESCc1csc(CN(Oc2ccc3c(c2)CCC(c2ccccc2)O3)C2CCCCC2)n1
InChIInChI=1S/C26H30N2O2S/c1-19-18-31-26(27-19)17-28(22-10-6-3-7-11-22)30-23-13-15-25-21(16-23)12-14-24(29-25)20-8-4-2-5-9-20/h2,4-5,8-9,13,15-16,18,22,24H,3,6-7,10-12,14,17H2,1H3
InChIKeyDZYMNAGKCFOLFO-UHFFFAOYSA-N
XLogP6.65
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 142771460
1-methyl-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]azepane
CID 70597681
(2R)-6-phenylmethoxy-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 142956928
N-[[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]methyl]acetamide
CID 122658487
N,N-dimethyl-6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridin-3-amine
CID 69017074
1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 142771464
N,N-bis(2-hydroxyethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexane-1-carboxamide
CID 142771430
6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridine-3-carboxylic acid
CID 159522239
7-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-ol
CID 134989904
3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
CID 91345018
2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazole-3-carboxamide
CID 91754807
N-[(2-chloro-4-pyridinyl)methyl]-4-methyl-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide
CID 91754841

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine (CID 122658332) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine is Cc1csc(CN(Oc2ccc3c(c2)CCC(c2ccccc2)O3)C2CCCCC2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine?
The InChIKey is DZYMNAGKCFOLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-19-18-31-26(27-19)17-28(22-10-6-3-7-11-22)30-23-13-15-25-21(16-23)12-14-24(29-25)20-8-4-2-5-9-20/h2,4-5,8-9,13,15-16,18,22,24H,3,6-7,10-12,14,17H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine has a molecular weight of 434.61 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine is sourced from PubChem (CID 122658332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).