4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide

C13H17N3OS — CID 64551710

IUPAC4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide
SMILESCCC1(C)CSC(Nc2ccc(C(N)=O)cc2)=N1
InChIInChI=1S/C13H17N3OS/c1-3-13(2)8-18-12(16-13)15-10-6-4-9(5-7-10)11(14)17/h4-7H,3,8H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeySQYDESCONCVDJW-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.47
Rot. Bonds3

About 4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide

4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide (PubChem CID 64551710) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide
PubChem CID64551710
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide
SMILESCCC1(C)CSC(Nc2ccc(C(N)=O)cc2)=N1
InChIInChI=1S/C13H17N3OS/c1-3-13(2)8-18-12(16-13)15-10-6-4-9(5-7-10)11(14)17/h4-7H,3,8H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeySQYDESCONCVDJW-UHFFFAOYSA-N
XLogP2.47
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide?
The IUPAC name of 4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide (CID 64551710) is 4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide.
What is the SMILES notation for 4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide?
The canonical SMILES for 4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide is CCC1(C)CSC(Nc2ccc(C(N)=O)cc2)=N1.
What is the InChIKey of 4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is SQYDESCONCVDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-13(2)8-18-12(16-13)15-10-6-4-9(5-7-10)11(14)17/h4-7H,3,8H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of 4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide?
4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 263.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 64551710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).