N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide

C19H27N3OS — CID 75428456

IUPACN-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide
SMILESCCc1cnc(CCNC(C)CC(=O)Nc2cccc(C)c2C)s1
InChIInChI=1S/C19H27N3OS/c1-5-16-12-21-19(24-16)9-10-20-14(3)11-18(23)22-17-8-6-7-13(2)15(17)4/h6-8,12,14,20H,5,9-11H2,1-4H3,(H,22,23)
InChIKeyGGNUQHJUGBTGSJ-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.87
Rot. Bonds8

About N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide

N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide (PubChem CID 75428456) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide
PubChem CID75428456
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC NameN-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide
SMILESCCc1cnc(CCNC(C)CC(=O)Nc2cccc(C)c2C)s1
InChIInChI=1S/C19H27N3OS/c1-5-16-12-21-19(24-16)9-10-20-14(3)11-18(23)22-17-8-6-7-13(2)15(17)4/h6-8,12,14,20H,5,9-11H2,1-4H3,(H,22,23)
InChIKeyGGNUQHJUGBTGSJ-UHFFFAOYSA-N
XLogP3.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide (CID 75428456) is N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide is CCc1cnc(CCNC(C)CC(=O)Nc2cccc(C)c2C)s1.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide?
The InChIKey is GGNUQHJUGBTGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-5-16-12-21-19(24-16)9-10-20-14(3)11-18(23)22-17-8-6-7-13(2)15(17)4/h6-8,12,14,20H,5,9-11H2,1-4H3,(H,22,23).
What are the key properties of N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide?
N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide has a molecular weight of 345.51 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide is sourced from PubChem (CID 75428456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).