4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine

C21H28N2O3S2 — CID 44591270

IUPAC4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine
SMILESCc1ccc(-c2nc(CC3CCCCC3)cs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H28N2O3S2/c1-16-7-8-18(14-20(16)28(24,25)23-9-11-26-12-10-23)21-22-19(15-27-21)13-17-5-3-2-4-6-17/h7-8,14-15,17H,2-6,9-13H2,1H3
InChIKeyOGNXMBCUTKGOQT-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.26
Rot. Bonds5

About 4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine

4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine (PubChem CID 44591270) has the molecular formula C21H28N2O3S2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine
PubChem CID44591270
Molecular FormulaC21H28N2O3S2
Molecular Weight420.60 g/mol
Exact Mass420.15
IUPAC Name4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine
SMILESCc1ccc(-c2nc(CC3CCCCC3)cs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H28N2O3S2/c1-16-7-8-18(14-20(16)28(24,25)23-9-11-26-12-10-23)21-22-19(15-27-21)13-17-5-3-2-4-6-17/h7-8,14-15,17H,2-6,9-13H2,1H3
InChIKeyOGNXMBCUTKGOQT-UHFFFAOYSA-N
XLogP4.26
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-Methyl-thiazol-4-yl)-benzenesulfonyl]-piperidine
CID 943173
4-[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 829818
N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 829863
4-{4-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
CID 9356437
4-[3-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 663895
2,6-Dimethyl-4-{[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}morpholine
CID 664536
2-[4-Methyl-3-(morpholin-4-ylsulfonyl)phenyl]-1,3-benzothiazole
CID 1252182
2-Methyl-4-{3-[(3-methylpiperidino)sulfonyl]phenyl}-1,3-thiazole
CID 3773079
4-(2-Methyl-5-(4-neopentylthiazol-2-yl)phenylsulfonyl)morpholine
CID 44591271
4-(5-(4-Tert-butylthiazol-2-yl)-2-methylphenylsulfonyl)morpholine
CID 44591272
3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide
CID 934351
4-{[3-(2-Phenyl-1,3-thiazol-4-yl)phenyl]sulfonyl}morpholine
CID 662742

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine?
The IUPAC name of 4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine (CID 44591270) is 4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine is Cc1ccc(-c2nc(CC3CCCCC3)cs2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine?
The InChIKey is OGNXMBCUTKGOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S2/c1-16-7-8-18(14-20(16)28(24,25)23-9-11-26-12-10-23)21-22-19(15-27-21)13-17-5-3-2-4-6-17/h7-8,14-15,17H,2-6,9-13H2,1H3.
What are the key properties of 4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine?
4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine has a molecular weight of 420.60 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylphenyl]sulfonylmorpholine is sourced from PubChem (CID 44591270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).