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

C16H17N3O3S2 — CID 2738179

IUPAC2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCc2c(-c3ccccc3)noc2C)s1
InChIInChI=1S/C16H17N3O3S2/c1-10-16(23-12(3)18-10)24(20,21)17-9-14-11(2)22-19-15(14)13-7-5-4-6-8-13/h4-8,17H,9H2,1-3H3
InChIKeyXNNFCDIIHKFRBW-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.20
Rot. Bonds5

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

2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 2738179) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID2738179
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCc2c(-c3ccccc3)noc2C)s1
InChIInChI=1S/C16H17N3O3S2/c1-10-16(23-12(3)18-10)24(20,21)17-9-14-11(2)22-19-15(14)13-7-5-4-6-8-13/h4-8,17H,9H2,1-3H3
InChIKeyXNNFCDIIHKFRBW-UHFFFAOYSA-N
XLogP3.20
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide (CID 2738179) is 2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)NCc2c(-c3ccccc3)noc2C)s1.
What is the InChIKey of 2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is XNNFCDIIHKFRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-10-16(23-12(3)18-10)24(20,21)17-9-14-11(2)22-19-15(14)13-7-5-4-6-8-13/h4-8,17H,9H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 363.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 2738179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).