5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

C15H13BrN4S — CID 103359536

IUPAC5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCc2ccccc2Br)c1-c1cccnc1
InChIInChI=1S/C15H13BrN4S/c16-12-6-2-1-4-10(12)9-19-15-13(14(17)20-21-15)11-5-3-7-18-8-11/h1-8,19H,9H2,(H2,17,20)
InChIKeyFPAZMGVKPGKMIK-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.16
Rot. Bonds4

About 5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103359536) has the molecular formula C15H13BrN4S and a molecular weight of 361.27 g/mol. Its IUPAC name is 5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103359536
Molecular FormulaC15H13BrN4S
Molecular Weight361.27 g/mol
Exact Mass360.00
IUPAC Name5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCc2ccccc2Br)c1-c1cccnc1
InChIInChI=1S/C15H13BrN4S/c16-12-6-2-1-4-10(12)9-19-15-13(14(17)20-21-15)11-5-3-7-18-8-11/h1-8,19H,9H2,(H2,17,20)
InChIKeyFPAZMGVKPGKMIK-UHFFFAOYSA-N
XLogP4.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(4-methylthiophen-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364637
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 106044435
5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364656
5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103363370
4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364167
5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359144
5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol
CID 107324546
4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103365325
4-pyridin-3-yl-5-N-(thiolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364491
5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361700
[2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 103359939
4-pyridin-3-yl-5-N-(2,2,3,3-tetramethylcyclopropyl)-1,2-thiazole-3,5-diamine
CID 103364408

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103359536) is 5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is Nc1nsc(NCc2ccccc2Br)c1-c1cccnc1.
What is the InChIKey of 5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is FPAZMGVKPGKMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4S/c16-12-6-2-1-4-10(12)9-19-15-13(14(17)20-21-15)11-5-3-7-18-8-11/h1-8,19H,9H2,(H2,17,20).
What are the key properties of 5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 361.27 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).