2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide

C14H25N3O2S — CID 66390440

IUPAC2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)c1csc(C(C)N)n1
InChIInChI=1S/C14H25N3O2S/c1-5-11(6-2)17(7-8-19-4)14(18)12-9-20-13(16-12)10(3)15/h9-11H,5-8,15H2,1-4H3
InChIKeyHXHODZXTLYZPBG-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.44
Rot. Bonds8

About 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 66390440) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
PubChem CID66390440
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)c1csc(C(C)N)n1
InChIInChI=1S/C14H25N3O2S/c1-5-11(6-2)17(7-8-19-4)14(18)12-9-20-13(16-12)10(3)15/h9-11H,5-8,15H2,1-4H3
InChIKeyHXHODZXTLYZPBG-UHFFFAOYSA-N
XLogP2.44
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 82949262
2-(2-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 66390439
ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate
CID 66388898
2-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 66377502
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 66390376
N-(2-methoxyethyl)-N-pentan-3-ylpyrazine-2-carboxamide
CID 56812386
2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide
CID 66388664
2-(1-aminoethyl)-N-(2-hydroxy-3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 66389184
2-(1-aminoethyl)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 113468670
2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 119189301
methyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate
CID 66388109
2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide
CID 66388934

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide (CID 66390440) is 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide is CCC(CC)N(CCOC)C(=O)c1csc(C(C)N)n1.
What is the InChIKey of 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HXHODZXTLYZPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-11(6-2)17(7-8-19-4)14(18)12-9-20-13(16-12)10(3)15/h9-11H,5-8,15H2,1-4H3.
What are the key properties of 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66390440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).