2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide

C14H25N3OS — CID 115679811

IUPAC2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide
SMILESCCc1cnc(C(C)NC(C)C(=O)NCC(C)C)s1
InChIInChI=1S/C14H25N3OS/c1-6-12-8-16-14(19-12)11(5)17-10(4)13(18)15-7-9(2)3/h8-11,17H,6-7H2,1-5H3,(H,15,18)
InChIKeyOLJBDKVPTKXBOE-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.52
Rot. Bonds7

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

2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide (PubChem CID 115679811) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide
PubChem CID115679811
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide
SMILESCCc1cnc(C(C)NC(C)C(=O)NCC(C)C)s1
InChIInChI=1S/C14H25N3OS/c1-6-12-8-16-14(19-12)11(5)17-10(4)13(18)15-7-9(2)3/h8-11,17H,6-7H2,1-5H3,(H,15,18)
InChIKeyOLJBDKVPTKXBOE-UHFFFAOYSA-N
XLogP2.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate
CID 115679802
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
CID 115726821
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 115679370
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115972512
5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107707104
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide
CID 103833289
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 113267211
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111796900
(1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 99637053
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydroxybenzamide
CID 112696838

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide (CID 115679811) is 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide is CCc1cnc(C(C)NC(C)C(=O)NCC(C)C)s1.
What is the InChIKey of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is OLJBDKVPTKXBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-6-12-8-16-14(19-12)11(5)17-10(4)13(18)15-7-9(2)3/h8-11,17H,6-7H2,1-5H3,(H,15,18).
What are the key properties of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide?
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 283.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 115679811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).