4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide

C19H24N4O4S3 — CID 5329728

IUPAC4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCC(C)(C)c1cnc(CSc2cnc(Nc3ccc(S(=O)(=O)NCCO)cc3)s2)o1
InChIInChI=1S/C19H24N4O4S3/c1-19(2,3)15-10-20-16(27-15)12-28-17-11-21-18(29-17)23-13-4-6-14(7-5-13)30(25,26)22-8-9-24/h4-7,10-11,22,24H,8-9,12H2,1-3H3,(H,21,23)
InChIKeyISZYBQYCHOZPBF-UHFFFAOYSA-N
MW468.63 g/mol
LogP3.74
Rot. Bonds9

About 4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide

4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 5329728) has the molecular formula C19H24N4O4S3 and a molecular weight of 468.63 g/mol. Its IUPAC name is 4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID5329728
Molecular FormulaC19H24N4O4S3
Molecular Weight468.63 g/mol
Exact Mass468.10
IUPAC Name4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCC(C)(C)c1cnc(CSc2cnc(Nc3ccc(S(=O)(=O)NCCO)cc3)s2)o1
InChIInChI=1S/C19H24N4O4S3/c1-19(2,3)15-10-20-16(27-15)12-28-17-11-21-18(29-17)23-13-4-6-14(7-5-13)30(25,26)22-8-9-24/h4-7,10-11,22,24H,8-9,12H2,1-3H3,(H,21,23)
InChIKeyISZYBQYCHOZPBF-UHFFFAOYSA-N
XLogP3.74
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide (CID 5329728) is 4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide is CC(C)(C)c1cnc(CSc2cnc(Nc3ccc(S(=O)(=O)NCCO)cc3)s2)o1.
What is the InChIKey of 4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is ISZYBQYCHOZPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S3/c1-19(2,3)15-10-20-16(27-15)12-28-17-11-21-18(29-17)23-13-4-6-14(7-5-13)30(25,26)22-8-9-24/h4-7,10-11,22,24H,8-9,12H2,1-3H3,(H,21,23).
What are the key properties of 4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide?
4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 468.63 g/mol, XLogP of 3.74, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 5329728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).