2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide

C28H32N2O3S — CID 122658253

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide
SMILESCc1nc(CC(=O)NC2CCC(Oc3ccc4c(c3)CCC(c3ccccc3)O4)CC2)c(C)s1
InChIInChI=1S/C28H32N2O3S/c1-18-25(29-19(2)34-18)17-28(31)30-22-9-11-23(12-10-22)32-24-13-15-27-21(16-24)8-14-26(33-27)20-6-4-3-5-7-20/h3-7,13,15-16,22-23,26H,8-12,14,17H2,1-2H3,(H,30,31)
InChIKeyJCEMUVHBLNMWKR-UHFFFAOYSA-N
MW476.64 g/mol
LogP5.88
Rot. Bonds6

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide (PubChem CID 122658253) has the molecular formula C28H32N2O3S and a molecular weight of 476.64 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide
PubChem CID122658253
Molecular FormulaC28H32N2O3S
Molecular Weight476.64 g/mol
Exact Mass476.21
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide
SMILESCc1nc(CC(=O)NC2CCC(Oc3ccc4c(c3)CCC(c3ccccc3)O4)CC2)c(C)s1
InChIInChI=1S/C28H32N2O3S/c1-18-25(29-19(2)34-18)17-28(31)30-22-9-11-23(12-10-22)32-24-13-15-27-21(16-24)8-14-26(33-27)20-6-4-3-5-7-20/h3-7,13,15-16,22-23,26H,8-12,14,17H2,1-2H3,(H,30,31)
InChIKeyJCEMUVHBLNMWKR-UHFFFAOYSA-N
XLogP5.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.64
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
CID 142771428
(2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
CID 122658193
N-[[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]methyl]acetamide
CID 122658487
N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-2-methylsulfanylacetamide
CID 122658465
N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide
CID 122658397
N,N-bis(2-hydroxyethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexane-1-carboxamide
CID 142771430
N-[2-(oxan-4-yl)ethyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 122658448
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 122658285
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
N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine
CID 122658252
4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 122658425

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide?
The IUPAC name of 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) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide is Cc1nc(CC(=O)NC2CCC(Oc3ccc4c(c3)CCC(c3ccccc3)O4)CC2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide?
The InChIKey is JCEMUVHBLNMWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3S/c1-18-25(29-19(2)34-18)17-28(31)30-22-9-11-23(12-10-22)32-24-13-15-27-21(16-24)8-14-26(33-27)20-6-4-3-5-7-20/h3-7,13,15-16,22-23,26H,8-12,14,17H2,1-2H3,(H,30,31).
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide has a molecular weight of 476.64 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide is sourced from PubChem (CID 122658253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).