2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole

C20H26N2O2S — CID 155420052

IUPAC2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole
SMILESCC1CCC(Oc2nc(C3C(Oc4ccccn4)C[C@@H]3C)cs2)CC1
InChIInChI=1S/C20H26N2O2S/c1-13-6-8-15(9-7-13)23-20-22-16(12-25-20)19-14(2)11-17(19)24-18-5-3-4-10-21-18/h3-5,10,12-15,17,19H,6-9,11H2,1-2H3/t13?,14-,15?,17?,19?/m0/s1
InChIKeyWMATZHULALJQQQ-VHTXZFEXSA-N
MW358.51 g/mol
LogP5.07
Rot. Bonds5

About 2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole

2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole (PubChem CID 155420052) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole
PubChem CID155420052
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole
SMILESCC1CCC(Oc2nc(C3C(Oc4ccccn4)C[C@@H]3C)cs2)CC1
InChIInChI=1S/C20H26N2O2S/c1-13-6-8-15(9-7-13)23-20-22-16(12-25-20)19-14(2)11-17(19)24-18-5-3-4-10-21-18/h3-5,10,12-15,17,19H,6-9,11H2,1-2H3/t13?,14-,15?,17?,19?/m0/s1
InChIKeyWMATZHULALJQQQ-VHTXZFEXSA-N
XLogP5.07
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole with MolForge

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Related Compounds

ethane;2-(3-methylcyclobutyl)oxypyridine
CID 169213104
2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine
CID 175881426
ethane;2-piperidin-4-yloxypyridine
CID 142889945
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
3-pyridin-2-yloxycyclohexan-1-ol
CID 117051379
methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane
CID 134557189
3-bromo-2-(4-methylcyclohexyl)oxypyridine
CID 61373555
methyl 2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxylate
CID 70845805
2-[methoxy-[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]-pyridin-2-ylmethyl]-6-phenylpyridine
CID 101158458
2-ethoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798598
4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole
CID 83152627
2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine
CID 156527640

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole?
The IUPAC name of 2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole (CID 155420052) is 2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole?
The canonical SMILES for 2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole is CC1CCC(Oc2nc(C3C(Oc4ccccn4)C[C@@H]3C)cs2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole?
The InChIKey is WMATZHULALJQQQ-VHTXZFEXSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-13-6-8-15(9-7-13)23-20-22-16(12-25-20)19-14(2)11-17(19)24-18-5-3-4-10-21-18/h3-5,10,12-15,17,19H,6-9,11H2,1-2H3/t13?,14-,15?,17?,19?/m0/s1.
What are the key properties of 2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole?
2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole has a molecular weight of 358.51 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole is sourced from PubChem (CID 155420052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).