2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide

C15H14BrN3O3S2 — CID 166380152

IUPAC2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)c1cnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C15H14BrN3O3S2/c1-9-13(10(2)22-19-9)7-18-24(20,21)14-8-17-15(23-14)11-3-5-12(16)6-4-11/h3-6,8,18H,7H2,1-2H3
InChIKeyKABLLLRACPEGQS-UHFFFAOYSA-N
MW428.33 g/mol
LogP3.66
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide

2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 166380152) has the molecular formula C15H14BrN3O3S2 and a molecular weight of 428.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID166380152
Molecular FormulaC15H14BrN3O3S2
Molecular Weight428.33 g/mol
Exact Mass426.97
IUPAC Name2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)c1cnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C15H14BrN3O3S2/c1-9-13(10(2)22-19-9)7-18-24(20,21)14-8-17-15(23-14)11-3-5-12(16)6-4-11/h3-6,8,18H,7H2,1-2H3
InChIKeyKABLLLRACPEGQS-UHFFFAOYSA-N
XLogP3.66
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide (CID 166380152) is 2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide is Cc1noc(C)c1CNS(=O)(=O)c1cnc(-c2ccc(Br)cc2)s1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is KABLLLRACPEGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3S2/c1-9-13(10(2)22-19-9)7-18-24(20,21)14-8-17-15(23-14)11-3-5-12(16)6-4-11/h3-6,8,18H,7H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 428.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 166380152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).