4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine

C19H27N3O5S3 — CID 2934572

IUPAC4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine
SMILESCCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCN2CCOCC2)s1
InChIInChI=1S/C19H27N3O5S3/c1-3-14-29(23,24)19-21-18(30(25,26)16-6-4-15(2)5-7-16)17(28-19)20-8-9-22-10-12-27-13-11-22/h4-7,20H,3,8-14H2,1-2H3
InChIKeyWPXFSNGMZLBBMX-UHFFFAOYSA-N
MW473.64 g/mol
LogP2.21
Rot. Bonds9

About 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine

4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine (PubChem CID 2934572) has the molecular formula C19H27N3O5S3 and a molecular weight of 473.64 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine
PubChem CID2934572
Molecular FormulaC19H27N3O5S3
Molecular Weight473.64 g/mol
Exact Mass473.11
IUPAC Name4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine
SMILESCCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCN2CCOCC2)s1
InChIInChI=1S/C19H27N3O5S3/c1-3-14-29(23,24)19-21-18(30(25,26)16-6-4-15(2)5-7-16)17(28-19)20-8-9-22-10-12-27-13-11-22/h4-7,20H,3,8-14H2,1-2H3
InChIKeyWPXFSNGMZLBBMX-UHFFFAOYSA-N
XLogP2.21
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine (CID 2934572) is 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine is CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCN2CCOCC2)s1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine?
The InChIKey is WPXFSNGMZLBBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S3/c1-3-14-29(23,24)19-21-18(30(25,26)16-6-4-15(2)5-7-16)17(28-19)20-8-9-22-10-12-27-13-11-22/h4-7,20H,3,8-14H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine?
4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine has a molecular weight of 473.64 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-propylsulfonyl-1,3-thiazol-5-amine is sourced from PubChem (CID 2934572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).