2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid

C10H16N2O2S — CID 43470226

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
SMILESCCCCC(Nc1nc(C)cs1)C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-3-4-5-8(9(13)14)12-10-11-7(2)6-15-10/h6,8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDRIIHYBDQJOKMH-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.51
Rot. Bonds6

About 2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid

2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid (PubChem CID 43470226) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
PubChem CID43470226
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
SMILESCCCCC(Nc1nc(C)cs1)C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-3-4-5-8(9(13)14)12-10-11-7(2)6-15-10/h6,8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDRIIHYBDQJOKMH-UHFFFAOYSA-N
XLogP2.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 93057158
5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
CID 82846018
2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid
CID 65226722
2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
CID 62959796
2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 82033336
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
2-(thiophen-3-ylamino)hexanoic acid
CID 103255804
N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine
CID 107816461
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid
CID 122062834
(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
CID 122062830
(2S)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]hexanoic acid
CID 122062775
2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 83041636

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid (CID 43470226) is 2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid is CCCCC(Nc1nc(C)cs1)C(=O)O.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid?
The InChIKey is DRIIHYBDQJOKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-4-5-8(9(13)14)12-10-11-7(2)6-15-10/h6,8H,3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid?
2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid has a molecular weight of 228.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid is sourced from PubChem (CID 43470226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).