2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one

C20H32N2O2S — CID 70294529

IUPAC2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one
SMILESCC(C)(C)C(=O)C(Cc1csc(N2CCOCC2)n1)C1CCCCC1
InChIInChI=1S/C20H32N2O2S/c1-20(2,3)18(23)17(15-7-5-4-6-8-15)13-16-14-25-19(21-16)22-9-11-24-12-10-22/h14-15,17H,4-13H2,1-3H3
InChIKeyYKSCMNIYCUNMBS-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.33
Rot. Bonds5

About 2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one

2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one (PubChem CID 70294529) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is 2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one.

Molecular Properties

Compound Name2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one
PubChem CID70294529
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC Name2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one
SMILESCC(C)(C)C(=O)C(Cc1csc(N2CCOCC2)n1)C1CCCCC1
InChIInChI=1S/C20H32N2O2S/c1-20(2,3)18(23)17(15-7-5-4-6-8-15)13-16-14-25-19(21-16)22-9-11-24-12-10-22/h14-15,17H,4-13H2,1-3H3
InChIKeyYKSCMNIYCUNMBS-UHFFFAOYSA-N
XLogP4.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one
CID 143695893
3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97200731
cyclobutyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158631
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide
CID 72852420
2,2-dimethyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398156
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
CID 63595044
5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 91768510
4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide
CID 170509325
(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl 2,2-dimethylpropanoate
CID 174585366
2-cyclopentyl-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110355326
4-[[4-methyl-1-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carbonyl]amino]benzoic acid
CID 142463492
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 50960264

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one?
The IUPAC name of 2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one (CID 70294529) is 2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one.
What is the SMILES notation for 2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one?
The canonical SMILES for 2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one is CC(C)(C)C(=O)C(Cc1csc(N2CCOCC2)n1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one?
The InChIKey is YKSCMNIYCUNMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-20(2,3)18(23)17(15-7-5-4-6-8-15)13-16-14-25-19(21-16)22-9-11-24-12-10-22/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one?
2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one has a molecular weight of 364.56 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one is sourced from PubChem (CID 70294529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).