4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide

C20H16BrN3S — CID 44533128

IUPAC4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.c1ccc(-c2nc(Nc3ccncc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C20H15N3S.BrH/c1-3-7-15(8-4-1)18-19(16-9-5-2-6-10-16)24-20(23-18)22-17-11-13-21-14-12-17;/h1-14H,(H,21,22,23);1H
InChIKeyAQVZREONBPMAFE-UHFFFAOYSA-N
MW410.34 g/mol
LogP6.19
Rot. Bonds4

About 4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide

4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide (PubChem CID 44533128) has the molecular formula C20H16BrN3S and a molecular weight of 410.34 g/mol. Its IUPAC name is 4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide
PubChem CID44533128
Molecular FormulaC20H16BrN3S
Molecular Weight410.34 g/mol
Exact Mass409.02
IUPAC Name4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.c1ccc(-c2nc(Nc3ccncc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C20H15N3S.BrH/c1-3-7-15(8-4-1)18-19(16-9-5-2-6-10-16)24-20(23-18)22-17-11-13-21-14-12-17;/h1-14H,(H,21,22,23);1H
InChIKeyAQVZREONBPMAFE-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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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide (CID 44533128) is 4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide is Br.c1ccc(-c2nc(Nc3ccncc3)sc2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is AQVZREONBPMAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3S.BrH/c1-3-7-15(8-4-1)18-19(16-9-5-2-6-10-16)24-20(23-18)22-17-11-13-21-14-12-17;/h1-14H,(H,21,22,23);1H.
What are the key properties of 4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide?
4,5-diphenyl-N-pyridin-4-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 4,5-diphenyl-N-pyridin-4-yl-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 44533128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).