N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine

C13H16BrN5S — CID 133481351

IUPACN-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC2CCN(c3ncc(Br)cn3)CC2)n1
InChIInChI=1S/C13H16BrN5S/c1-9-8-20-13(17-9)18-11-2-4-19(5-3-11)12-15-6-10(14)7-16-12/h6-8,11H,2-5H2,1H3,(H,17,18)
InChIKeyCCZCGBOVJNANPL-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.08
Rot. Bonds3

About N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine

N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 133481351) has the molecular formula C13H16BrN5S and a molecular weight of 354.28 g/mol. Its IUPAC name is N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID133481351
Molecular FormulaC13H16BrN5S
Molecular Weight354.28 g/mol
Exact Mass353.03
IUPAC NameN-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC2CCN(c3ncc(Br)cn3)CC2)n1
InChIInChI=1S/C13H16BrN5S/c1-9-8-20-13(17-9)18-11-2-4-19(5-3-11)12-15-6-10(14)7-16-12/h6-8,11H,2-5H2,1H3,(H,17,18)
InChIKeyCCZCGBOVJNANPL-UHFFFAOYSA-N
XLogP3.08
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 133481384
N-cyclopentyl-4-methyl-1,3-thiazol-2-amine;molecular hydrogen
CID 142956868
4-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 127896861
N-cyclohexyl-4-methyl-1,3-thiazol-2-amine;molecular hydrogen
CID 143290399
4-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine
CID 24708198
4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine
CID 63540876
4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine
CID 133481383
4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 79399978
N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 133481326
N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 133481382
4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide
CID 61044116
4-methyl-N-[6-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 110093864

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 133481351) is N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NC2CCN(c3ncc(Br)cn3)CC2)n1.
What is the InChIKey of N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is CCZCGBOVJNANPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5S/c1-9-8-20-13(17-9)18-11-2-4-19(5-3-11)12-15-6-10(14)7-16-12/h6-8,11H,2-5H2,1H3,(H,17,18).
What are the key properties of N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 354.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 133481351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).