N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C21H18ClN5OS — CID 100769211

IUPACN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)NCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H18ClN5OS/c1-13-19(29-21(27-13)14-3-2-7-23-12-14)20(28)26-10-9-25-17-6-8-24-18-11-15(22)4-5-16(17)18/h2-8,11-12H,9-10H2,1H3,(H,24,25)(H,26,28)
InChIKeyNZFNKEFJOFLPBQ-UHFFFAOYSA-N
MW423.93 g/mol
LogP4.56
Rot. Bonds6

About N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 100769211) has the molecular formula C21H18ClN5OS and a molecular weight of 423.93 g/mol. Its IUPAC name is N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID100769211
Molecular FormulaC21H18ClN5OS
Molecular Weight423.93 g/mol
Exact Mass423.09
IUPAC NameN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)NCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H18ClN5OS/c1-13-19(29-21(27-13)14-3-2-7-23-12-14)20(28)26-10-9-25-17-6-8-24-18-11-15(22)4-5-16(17)18/h2-8,11-12H,9-10H2,1H3,(H,24,25)(H,26,28)
InChIKeyNZFNKEFJOFLPBQ-UHFFFAOYSA-N
XLogP4.56
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.93
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 100776891
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100778803
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
2,5-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122024
2-(4-chlorophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24683000
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 58236230
2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide
CID 162671196
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
4-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzamide
CID 42743599
N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 100801716

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 100769211) is N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)NCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NZFNKEFJOFLPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5OS/c1-13-19(29-21(27-13)14-3-2-7-23-12-14)20(28)26-10-9-25-17-6-8-24-18-11-15(22)4-5-16(17)18/h2-8,11-12H,9-10H2,1H3,(H,24,25)(H,26,28).
What are the key properties of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 423.93 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 100769211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).