5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide

C20H16BrN3S — CID 134103716

IUPAC5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.c1ccc(-c2ccc(-c3cnc(Nc4cccnc4)s3)cc2)cc1
InChIInChI=1S/C20H15N3S.BrH/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)19-14-22-20(24-19)23-18-7-4-12-21-13-18;/h1-14H,(H,22,23);1H
InChIKeyPTLWZAFLAKNPTB-UHFFFAOYSA-N
MW410.34 g/mol
LogP6.19
Rot. Bonds4

About 5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide

5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide (PubChem CID 134103716) has the molecular formula C20H16BrN3S and a molecular weight of 410.34 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
PubChem CID134103716
Molecular FormulaC20H16BrN3S
Molecular Weight410.34 g/mol
Exact Mass409.02
IUPAC Name5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.c1ccc(-c2ccc(-c3cnc(Nc4cccnc4)s3)cc2)cc1
InChIInChI=1S/C20H15N3S.BrH/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)19-14-22-20(24-19)23-18-7-4-12-21-13-18;/h1-14H,(H,22,23);1H
InChIKeyPTLWZAFLAKNPTB-UHFFFAOYSA-N
XLogP6.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.34
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 11652687
2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80570815
5-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 13443925
N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 88977985
ethane;N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 143142326
5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 21132210
(5-phenyl-1,3-thiazol-2-yl)hydrazine;hydrochloride
CID 121237517
phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
CID 12568925
4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 87619876
5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 2725837
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
N-pyridin-2-yl-4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine;N-pyridin-3-yl-4-[3-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 18428300

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide (CID 134103716) is 5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide is Br.c1ccc(-c2ccc(-c3cnc(Nc4cccnc4)s3)cc2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is PTLWZAFLAKNPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3S.BrH/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)19-14-22-20(24-19)23-18-7-4-12-21-13-18;/h1-14H,(H,22,23);1H.
What are the key properties of 5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide?
5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 410.34 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 134103716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).