4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole

C17H22N2O3S2 — CID 71081703

IUPAC4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole
SMILESCc1cc(OCc2csc(C3CCNCC3)n2)ccc1S(C)(=O)=O
InChIInChI=1S/C17H22N2O3S2/c1-12-9-15(3-4-16(12)24(2,20)21)22-10-14-11-23-17(19-14)13-5-7-18-8-6-13/h3-4,9,11,13,18H,5-8,10H2,1-2H3
InChIKeyIJOGVMXDCQQKAL-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.90
Rot. Bonds5

About 4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole

4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole (PubChem CID 71081703) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole
PubChem CID71081703
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC Name4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole
SMILESCc1cc(OCc2csc(C3CCNCC3)n2)ccc1S(C)(=O)=O
InChIInChI=1S/C17H22N2O3S2/c1-12-9-15(3-4-16(12)24(2,20)21)22-10-14-11-23-17(19-14)13-5-7-18-8-6-13/h3-4,9,11,13,18H,5-8,10H2,1-2H3
InChIKeyIJOGVMXDCQQKAL-UHFFFAOYSA-N
XLogP2.90
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
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CID 66911033
4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558226
4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole
CID 134241368
(4-fluorophenyl) 4-[4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 25024915
(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
CID 82670559
tert-butyl formate;4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline
CID 174585485
N-amino-N-[4-[(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanimidamide
CID 143718393
4-[(3-methyl-4-methylsulfonylphenyl)methyl]piperidine
CID 117422375
2-fluoro-4-methylsulfonyl-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]aniline;propan-2-yl formate
CID 174600617
4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938
(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl) 4-[4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 129055252

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole (CID 71081703) is 4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole is Cc1cc(OCc2csc(C3CCNCC3)n2)ccc1S(C)(=O)=O.
What is the InChIKey of 4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is IJOGVMXDCQQKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-12-9-15(3-4-16(12)24(2,20)21)22-10-14-11-23-17(19-14)13-5-7-18-8-6-13/h3-4,9,11,13,18H,5-8,10H2,1-2H3.
What are the key properties of 4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole?
4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 366.51 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 71081703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).