4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C21H20N4O4S2 — CID 1308110

IUPAC4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCOc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1C
InChIInChI=1S/C21H20N4O4S2/c1-13-10-15(4-9-19(13)28-3)18-12-30-21(23-18)22-16-5-7-17(8-6-16)31(26,27)25-20-11-14(2)29-24-20/h4-12H,1-3H3,(H,22,23)(H,24,25)
InChIKeyBPKAIDOAJPDWJW-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.97
Rot. Bonds7

About 4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 1308110) has the molecular formula C21H20N4O4S2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID1308110
Molecular FormulaC21H20N4O4S2
Molecular Weight456.55 g/mol
Exact Mass456.09
IUPAC Name4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCOc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1C
InChIInChI=1S/C21H20N4O4S2/c1-13-10-15(4-9-19(13)28-3)18-12-30-21(23-18)22-16-5-7-17(8-6-16)31(26,27)25-20-11-14(2)29-24-20/h4-12H,1-3H3,(H,22,23)(H,24,25)
InChIKeyBPKAIDOAJPDWJW-UHFFFAOYSA-N
XLogP4.97
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 1092438
4-[4-(4-Hydroxy-phenyl)-thiazol-2-ylamino]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
CID 2214183
2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24979980
2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 25163693
2-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36321840
4-[4-(3,4-Dimethyl-phenyl)-thiazol-2-ylamino]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
CID 12004568
N-(2,6-Dimethoxy-pyrimidin-4-yl)-4-[4-(4-methoxy-phenyl)-thiazol-2-ylamino]-benzenesulfonamide
CID 12004705
2-[2-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24979062
N-(5-methyl-3-isoxazolyl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide hydrobromide
CID 1092428
4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 3150933
2-[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 41189573
4-[3-(4-methoxyphenyl)isoxazol-5-yl]-N-(p-tolyl)thiazol-2-amine
CID 134816928

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 1308110) is 4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is COc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1C.
What is the InChIKey of 4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is BPKAIDOAJPDWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S2/c1-13-10-15(4-9-19(13)28-3)18-12-30-21(23-18)22-16-5-7-17(8-6-16)31(26,27)25-20-11-14(2)29-24-20/h4-12H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 456.55 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 1308110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).