N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline

C24H23N3S — CID 25012899

IUPACN-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
SMILESCCCc1cc(-c2nc(-c3ccc(NCc4ccccc4)cc3)cs2)ccn1
InChIInChI=1S/C24H23N3S/c1-2-6-22-15-20(13-14-25-22)24-27-23(17-28-24)19-9-11-21(12-10-19)26-16-18-7-4-3-5-8-18/h3-5,7-15,17,26H,2,6,16H2,1H3
InChIKeyBAQOAQCINMPNGC-UHFFFAOYSA-N
MW385.54 g/mol
LogP6.44
Rot. Bonds7

About N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline

N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline (PubChem CID 25012899) has the molecular formula C24H23N3S and a molecular weight of 385.54 g/mol. Its IUPAC name is N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound NameN-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
PubChem CID25012899
Molecular FormulaC24H23N3S
Molecular Weight385.54 g/mol
Exact Mass385.16
IUPAC NameN-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
SMILESCCCc1cc(-c2nc(-c3ccc(NCc4ccccc4)cc3)cs2)ccn1
InChIInChI=1S/C24H23N3S/c1-2-6-22-15-20(13-14-25-22)24-27-23(17-28-24)19-9-11-21(12-10-19)26-16-18-7-4-3-5-8-18/h3-5,7-15,17,26H,2,6,16H2,1H3
InChIKeyBAQOAQCINMPNGC-UHFFFAOYSA-N
XLogP6.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.54
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-phenylethyl)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
CID 159855197
N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine
CID 118709521
2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide
CID 141218719
N-methyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-(trifluoromethylsulfanyl)aniline
CID 134549821
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356285
N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9233048
2-[2-(methoxymethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole
CID 145149584
N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 9233346
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477
N-benzyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine dichloride
CID 25000777
4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline
CID 43667849

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline (CID 25012899) is N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline is CCCc1cc(-c2nc(-c3ccc(NCc4ccccc4)cc3)cs2)ccn1.
What is the InChIKey of N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is BAQOAQCINMPNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3S/c1-2-6-22-15-20(13-14-25-22)24-27-23(17-28-24)19-9-11-21(12-10-19)26-16-18-7-4-3-5-8-18/h3-5,7-15,17,26H,2,6,16H2,1H3.
What are the key properties of N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 385.54 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 25012899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).