6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid

C16H19N3O3S — CID 39165087

IUPAC6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C16H19N3O3S/c1-11-14(15(22)18-10-5-2-3-8-13(20)21)23-16(19-11)12-7-4-6-9-17-12/h4,6-7,9H,2-3,5,8,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyMCXFXYHCUACZLJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.89
Rot. Bonds8

About 6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid

6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid (PubChem CID 39165087) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
PubChem CID39165087
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C16H19N3O3S/c1-11-14(15(22)18-10-5-2-3-8-13(20)21)23-16(19-11)12-7-4-6-9-17-12/h4,6-7,9H,2-3,5,8,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyMCXFXYHCUACZLJ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9457265
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55735230
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134040764
N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26953998
N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138190
N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 35097252
N-(3-aminopropyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 119408938
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
4-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78816429

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid (CID 39165087) is 6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid is Cc1nc(-c2ccccn2)sc1C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The InChIKey is MCXFXYHCUACZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-14(15(22)18-10-5-2-3-8-13(20)21)23-16(19-11)12-7-4-6-9-17-12/h4,6-7,9H,2-3,5,8,10H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid has a molecular weight of 333.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 39165087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).