N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline

C21H17N3S — CID 53494006

IUPACN-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline
SMILESc1ccc(NCc2sc(-c3cccnc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H17N3S/c1-3-8-16(9-4-1)20-19(15-23-18-11-5-2-6-12-18)25-21(24-20)17-10-7-13-22-14-17/h1-14,23H,15H2
InChIKeyGYRHBIJLJATNHA-UHFFFAOYSA-N
MW343.46 g/mol
LogP5.48
Rot. Bonds5

About N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline

N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 53494006) has the molecular formula C21H17N3S and a molecular weight of 343.46 g/mol. Its IUPAC name is N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID53494006
Molecular FormulaC21H17N3S
Molecular Weight343.46 g/mol
Exact Mass343.11
IUPAC NameN-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline
SMILESc1ccc(NCc2sc(-c3cccnc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H17N3S/c1-3-8-16(9-4-1)20-19(15-23-18-11-5-2-6-12-18)25-21(24-20)17-10-7-13-22-14-17/h1-14,23H,15H2
InChIKeyGYRHBIJLJATNHA-UHFFFAOYSA-N
XLogP5.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.46
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069424
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
N-ethyl-N-methyl-4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 126635045
5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole
CID 28709866
2-(4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82069621
5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
CID 28709890
2-methyl-N-[[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369758
N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 64717713
ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole
CID 178171856
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 3040028
1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81173545

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline (CID 53494006) is N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline is c1ccc(NCc2sc(-c3cccnc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is GYRHBIJLJATNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3S/c1-3-8-16(9-4-1)20-19(15-23-18-11-5-2-6-12-18)25-21(24-20)17-10-7-13-22-14-17/h1-14,23H,15H2.
What are the key properties of N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline?
N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 343.46 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 53494006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).