N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C22H25N5O2S — CID 45137896

IUPACN-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)NCCCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C22H25N5O2S/c1-15-20(30-22(26-15)16-8-7-12-24-14-16)21(29)25-13-6-2-3-11-19(28)27-18-10-5-4-9-17(18)23/h4-5,7-10,12,14H,2-3,6,11,13,23H2,1H3,(H,25,29)(H,27,28)
InChIKeyWTGYIFUJCYIFGM-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.02
Rot. Bonds9

About N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 45137896) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID45137896
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC NameN-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)NCCCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C22H25N5O2S/c1-15-20(30-22(26-15)16-8-7-12-24-14-16)21(29)25-13-6-2-3-11-19(28)27-18-10-5-4-9-17(18)23/h4-5,7-10,12,14H,2-3,6,11,13,23H2,1H3,(H,25,29)(H,27,28)
InChIKeyWTGYIFUJCYIFGM-UHFFFAOYSA-N
XLogP4.02
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
4-Amino-6-(4-methylpiperazin-1-yl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10127012
4-Amino-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10171950
7-[(4-Methylpiperazin-1-yl)carbonyl]-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10194805
3-[2-(Pyridin-3-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10236551
N,N-diethyl-2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-5-carboxamide
CID 10237742
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10308461
n-(2-Aminophenyl)-4-{5-[(ethylamino)methyl]-1,3-thiazol-2-yl}benzamide
CID 11638904
N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-7-carboxamide
CID 23527337
N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 25023854
N-(4-tert-butylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 11617549
N-[4-(propan-2-yl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644838

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 45137896) is N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)NCCCCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WTGYIFUJCYIFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-15-20(30-22(26-15)16-8-7-12-24-14-16)21(29)25-13-6-2-3-11-19(28)27-18-10-5-4-9-17(18)23/h4-5,7-10,12,14H,2-3,6,11,13,23H2,1H3,(H,25,29)(H,27,28).
What are the key properties of N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 4.02, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45137896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).