3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide

C18H25N3O2S — CID 75383201

IUPAC3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)CC(C)NCCc1sc(C)nc1C
InChIInChI=1S/C18H25N3O2S/c1-12(19-10-9-17-13(2)20-14(3)24-17)11-18(22)21-15-7-5-6-8-16(15)23-4/h5-8,12,19H,9-11H2,1-4H3,(H,21,22)
InChIKeyZXMRKSYXUOBFHU-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.32
Rot. Bonds8

About 3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide

3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide (PubChem CID 75383201) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide
PubChem CID75383201
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)CC(C)NCCc1sc(C)nc1C
InChIInChI=1S/C18H25N3O2S/c1-12(19-10-9-17-13(2)20-14(3)24-17)11-18(22)21-15-7-5-6-8-16(15)23-4/h5-8,12,19H,9-11H2,1-4H3,(H,21,22)
InChIKeyZXMRKSYXUOBFHU-UHFFFAOYSA-N
XLogP3.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide?
The IUPAC name of 3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide (CID 75383201) is 3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for 3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for 3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide is COc1ccccc1NC(=O)CC(C)NCCc1sc(C)nc1C.
What is the InChIKey of 3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide?
The InChIKey is ZXMRKSYXUOBFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-12(19-10-9-17-13(2)20-14(3)24-17)11-18(22)21-15-7-5-6-8-16(15)23-4/h5-8,12,19H,9-11H2,1-4H3,(H,21,22).
What are the key properties of 3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide?
3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide has a molecular weight of 347.48 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 75383201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).