N-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide

C15H14BrN3S — CID 2877172

IUPACN-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccnc(Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C15H13N3S.BrH/c1-11-7-8-16-14(9-11)18-15-17-13(10-19-15)12-5-3-2-4-6-12;/h2-10H,1H3,(H,16,17,18);1H
InChIKeyYWJBCJIGKJNRLN-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.84
Rot. Bonds3

About N-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide

N-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2877172) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide
PubChem CID2877172
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC NameN-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccnc(Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C15H13N3S.BrH/c1-11-7-8-16-14(9-11)18-15-17-13(10-19-15)12-5-3-2-4-6-12;/h2-10H,1H3,(H,16,17,18);1H
InChIKeyYWJBCJIGKJNRLN-UHFFFAOYSA-N
XLogP4.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide (CID 2877172) is N-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide is Br.Cc1ccnc(Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is YWJBCJIGKJNRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S.BrH/c1-11-7-8-16-14(9-11)18-15-17-13(10-19-15)12-5-3-2-4-6-12;/h2-10H,1H3,(H,16,17,18);1H.
What are the key properties of N-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide?
N-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 348.27 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2877172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).