N-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide

C19H16BrN3S — CID 87929254

IUPACN-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.c1cncc(-c2csc(NCc3cccc4ccccc34)n2)c1
InChIInChI=1S/C19H15N3S.BrH/c1-2-9-17-14(5-1)6-3-7-15(17)12-21-19-22-18(13-23-19)16-8-4-10-20-11-16;/h1-11,13H,12H2,(H,21,22);1H
InChIKeyJXELBYHJXGZREY-UHFFFAOYSA-N
MW398.33 g/mol
LogP5.55
Rot. Bonds4

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

N-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide (PubChem CID 87929254) has the molecular formula C19H16BrN3S and a molecular weight of 398.33 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
PubChem CID87929254
Molecular FormulaC19H16BrN3S
Molecular Weight398.33 g/mol
Exact Mass397.02
IUPAC NameN-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.c1cncc(-c2csc(NCc3cccc4ccccc34)n2)c1
InChIInChI=1S/C19H15N3S.BrH/c1-2-9-17-14(5-1)6-3-7-15(17)12-21-19-22-18(13-23-19)16-8-4-10-20-11-16;/h1-11,13H,12H2,(H,21,22);1H
InChIKeyJXELBYHJXGZREY-UHFFFAOYSA-N
XLogP5.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.33
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-3-pyridinyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 166341288
N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 746667
4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine
CID 79400625
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine
CID 134241887
N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791260
N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine
CID 4711877
N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464
2-tert-butylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 35874851
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea
CID 121081387
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide (CID 87929254) is N-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide is Br.c1cncc(-c2csc(NCc3cccc4ccccc34)n2)c1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is JXELBYHJXGZREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S.BrH/c1-2-9-17-14(5-1)6-3-7-15(17)12-21-19-22-18(13-23-19)16-8-4-10-20-11-16;/h1-11,13H,12H2,(H,21,22);1H.
What are the key properties of N-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide?
N-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 398.33 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 87929254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).