(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid

C16H19N3O3S — CID 39165215

IUPAC(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)C(=O)O
InChIInChI=1S/C16H19N3O3S/c1-2-3-6-13(16(21)22)19-14(20)9-11-10-23-15(18-11)12-7-4-5-8-17-12/h4-5,7-8,10,13H,2-3,6,9H2,1H3,(H,19,20)(H,21,22)/t13-/m0/s1
InChIKeyTZKXWPSJSIDWIU-ZDUSSCGKSA-N
MW333.41 g/mol
LogP2.51
Rot. Bonds8

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

(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid (PubChem CID 39165215) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
PubChem CID39165215
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)C(=O)O
InChIInChI=1S/C16H19N3O3S/c1-2-3-6-13(16(21)22)19-14(20)9-11-10-23-15(18-11)12-7-4-5-8-17-12/h4-5,7-8,10,13H,2-3,6,9H2,1H3,(H,19,20)(H,21,22)/t13-/m0/s1
InChIKeyTZKXWPSJSIDWIU-ZDUSSCGKSA-N
XLogP2.51
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
(2R)-3-methyl-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 39165191
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 91822699
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide
CID 126827360
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55582407
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
CID 108748833
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26193084
N-[2-(ethylamino)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119506122
N-(3-ethoxypropyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32979634
(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid
CID 122062814

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid (CID 39165215) is (2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid is CCCC[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid?
The InChIKey is TZKXWPSJSIDWIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-2-3-6-13(16(21)22)19-14(20)9-11-10-23-15(18-11)12-7-4-5-8-17-12/h4-5,7-8,10,13H,2-3,6,9H2,1H3,(H,19,20)(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid?
(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid has a molecular weight of 333.41 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 39165215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).