3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide

C12H21N3OS — CID 55121402

IUPAC3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCNC(C)CC(=O)Nc1nc(CC)c(C)s1
InChIInChI=1S/C12H21N3OS/c1-5-10-9(4)17-12(14-10)15-11(16)7-8(3)13-6-2/h8,13H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyAYWOEBOUIXKLAY-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.34
Rot. Bonds6

About 3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide

3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 55121402) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID55121402
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCNC(C)CC(=O)Nc1nc(CC)c(C)s1
InChIInChI=1S/C12H21N3OS/c1-5-10-9(4)17-12(14-10)15-11(16)7-8(3)13-6-2/h8,13H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyAYWOEBOUIXKLAY-UHFFFAOYSA-N
XLogP2.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide (CID 55121402) is 3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide is CCNC(C)CC(=O)Nc1nc(CC)c(C)s1.
What is the InChIKey of 3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is AYWOEBOUIXKLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-10-9(4)17-12(14-10)15-11(16)7-8(3)13-6-2/h8,13H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide?
3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 255.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 55121402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).