4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine

C16H20N2O5S3 — CID 2934240

IUPAC4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2NCC2CCCO2)cc1
InChIInChI=1S/C16H20N2O5S3/c1-11-5-7-13(8-6-11)26(21,22)15-14(17-10-12-4-3-9-23-12)24-16(18-15)25(2,19)20/h5-8,12,17H,3-4,9-10H2,1-2H3
InChIKeyULAMVKUESIDBQN-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.28
Rot. Bonds6

About 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine

4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine (PubChem CID 2934240) has the molecular formula C16H20N2O5S3 and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine
PubChem CID2934240
Molecular FormulaC16H20N2O5S3
Molecular Weight416.55 g/mol
Exact Mass416.05
IUPAC Name4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2NCC2CCCO2)cc1
InChIInChI=1S/C16H20N2O5S3/c1-11-5-7-13(8-6-11)26(21,22)15-14(17-10-12-4-3-9-23-12)24-16(18-15)25(2,19)20/h5-8,12,17H,3-4,9-10H2,1-2H3
InChIKeyULAMVKUESIDBQN-UHFFFAOYSA-N
XLogP2.28
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(4-Methylphenyl)sulfonyl]-5-[(2-morpholin-4-ylethyl)amino]-2-(propylsulfony l)-1,3-thiazole
CID 2934572
N-butyl-2-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-amine
CID 16011855
N-(butan-2-yl)-2-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-amine
CID 16011859
5-{[3-(Methylethoxy)propyl]amino}-4-[(4-methylphenyl)sulfonyl]-2-(phenylsulfon yl)-1,3-thiazole
CID 16013930
N,N-dimethyl-N'-[4-[(4-methylphenyl)sulfonyl]-2-(propylsulfonyl)-1,3-thiazol-5-yl]propane-1,3-diamine
CID 16193574
4-[(4-methylphenyl)sulfonyl]-N-propyl-2-(propylsulfonyl)-1,3-thiazol-5-amine
CID 16195607
4-[2-(Ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]-2,6-dimethylmorpholine
CID 20888749
2-(Benzenesulfonyl)-N-(3-methoxypropyl)-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-amine
CID 23607458
2-(Benzenesulfonyl)-N-(3-ethoxypropyl)-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-amine
CID 23607460
N-[3-(Dimethylamino)propyl]-2-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-amine
CID 16193692
4-(2-(Propylsulfonyl)-4-tosylthiazol-5-yl)morpholine
CID 1295431
2,6-Dimethyl-4-[4-[(4-methylphenyl)sulfonyl]-2-(methylsulfonyl)-1,3-thiazol-5-yl]morpholine
CID 2934606

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine (CID 2934240) is 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2NCC2CCCO2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine?
The InChIKey is ULAMVKUESIDBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S3/c1-11-5-7-13(8-6-11)26(21,22)15-14(17-10-12-4-3-9-23-12)24-16(18-15)25(2,19)20/h5-8,12,17H,3-4,9-10H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine?
4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine has a molecular weight of 416.55 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 2934240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).