N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C16H19N3O4S2 — CID 131902928

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCc1nc(C(C)N(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)s1
InChIInChI=1S/C16H19N3O4S2/c1-9(15-10(2)24-11(3)17-15)19(5)25(21,22)12-6-7-13-14(8-12)23-16(20)18(13)4/h6-9H,1-5H3
InChIKeyZLTSLTTZRUISAH-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.59
Rot. Bonds4

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 131902928) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID131902928
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCc1nc(C(C)N(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)s1
InChIInChI=1S/C16H19N3O4S2/c1-9(15-10(2)24-11(3)17-15)19(5)25(21,22)12-6-7-13-14(8-12)23-16(20)18(13)4/h6-9H,1-5H3
InChIKeyZLTSLTTZRUISAH-UHFFFAOYSA-N
XLogP2.59
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 131902928) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cc1nc(C(C)N(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is ZLTSLTTZRUISAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-9(15-10(2)24-11(3)17-15)19(5)25(21,22)12-6-7-13-14(8-12)23-16(20)18(13)4/h6-9H,1-5H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 381.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 131902928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).