2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide

C12H21N3OS — CID 63240116

IUPAC2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide
SMILESCCCCC(N)C(=O)NCCc1nc(C)cs1
InChIInChI=1S/C12H21N3OS/c1-3-4-5-10(13)12(16)14-7-6-11-15-9(2)8-17-11/h8,10H,3-7,13H2,1-2H3,(H,14,16)
InChIKeyRXAYTKLEVRSILU-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.63
Rot. Bonds7

About 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide

2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide (PubChem CID 63240116) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide
PubChem CID63240116
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide
SMILESCCCCC(N)C(=O)NCCc1nc(C)cs1
InChIInChI=1S/C12H21N3OS/c1-3-4-5-10(13)12(16)14-7-6-11-15-9(2)8-17-11/h8,10H,3-7,13H2,1-2H3,(H,14,16)
InChIKeyRXAYTKLEVRSILU-UHFFFAOYSA-N
XLogP1.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
(2R)-2-amino-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 95035833
2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 81089104
3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one
CID 116556825
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63240236
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine
CID 63946760
2-amino-2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 79813428
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 63239940
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
1-[(2R)-3-methylbutan-2-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 94151930
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide?
The IUPAC name of 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide (CID 63240116) is 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide.
What is the SMILES notation for 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide?
The canonical SMILES for 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide is CCCCC(N)C(=O)NCCc1nc(C)cs1.
What is the InChIKey of 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide?
The InChIKey is RXAYTKLEVRSILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-4-5-10(13)12(16)14-7-6-11-15-9(2)8-17-11/h8,10H,3-7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide?
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide has a molecular weight of 255.39 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide is sourced from PubChem (CID 63240116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).