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

C26H30N2O2S — CID 142771460

IUPAC1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
SMILESCc1csc(CC2(N)CCC(Oc3ccc4c(c3)CCC(c3ccccc3)O4)CC2)n1
InChIInChI=1S/C26H30N2O2S/c1-18-17-31-25(28-18)16-26(27)13-11-21(12-14-26)29-22-8-10-24-20(15-22)7-9-23(30-24)19-5-3-2-4-6-19/h2-6,8,10,15,17,21,23H,7,9,11-14,16,27H2,1H3
InChIKeyDPOAUDBYQKOTSW-UHFFFAOYSA-N
MW434.61 g/mol
LogP5.78
Rot. Bonds5

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

1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine (PubChem CID 142771460) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
PubChem CID142771460
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC Name1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
SMILESCc1csc(CC2(N)CCC(Oc3ccc4c(c3)CCC(c3ccccc3)O4)CC2)n1
InChIInChI=1S/C26H30N2O2S/c1-18-17-31-25(28-18)16-26(27)13-11-21(12-14-26)29-22-8-10-24-20(15-22)7-9-23(30-24)19-5-3-2-4-6-19/h2-6,8,10,15,17,21,23H,7,9,11-14,16,27H2,1H3
InChIKeyDPOAUDBYQKOTSW-UHFFFAOYSA-N
XLogP5.78
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 142771464
1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 142771453
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexanamine
CID 122658332
1-methyl-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]azepane
CID 70597681
N-[[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]methyl]acetamide
CID 122658487
(2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
CID 122658193
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide
CID 122658253
2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
CID 71293645
N,N-bis(2-hydroxyethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexane-1-carboxamide
CID 142771430
3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
CID 142771428
8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane
CID 90390505
N-[2-(oxan-4-yl)ethyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 122658448

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine?
The IUPAC name of 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) is 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine is Cc1csc(CC2(N)CCC(Oc3ccc4c(c3)CCC(c3ccccc3)O4)CC2)n1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine?
The InChIKey is DPOAUDBYQKOTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-18-17-31-25(28-18)16-26(27)13-11-21(12-14-26)29-22-8-10-24-20(15-22)7-9-23(30-24)19-5-3-2-4-6-19/h2-6,8,10,15,17,21,23H,7,9,11-14,16,27H2,1H3.
What are the key properties of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine?
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine has a molecular weight of 434.61 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 142771460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).