[4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone

C14H15BrN4OS — CID 123181298

IUPAC[4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone
SMILESNC1CCN(c2csc(C(=O)c3cncc(Br)c3)n2)CC1
InChIInChI=1S/C14H15BrN4OS/c15-10-5-9(6-17-7-10)13(20)14-18-12(8-21-14)19-3-1-11(16)2-4-19/h5-8,11H,1-4,16H2
InChIKeyVYYGSQGJUFKHKO-UHFFFAOYSA-N
MW367.27 g/mol
LogP2.46
Rot. Bonds3

About [4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone

[4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone (PubChem CID 123181298) has the molecular formula C14H15BrN4OS and a molecular weight of 367.27 g/mol. Its IUPAC name is [4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone
PubChem CID123181298
Molecular FormulaC14H15BrN4OS
Molecular Weight367.27 g/mol
Exact Mass366.01
IUPAC Name[4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone
SMILESNC1CCN(c2csc(C(=O)c3cncc(Br)c3)n2)CC1
InChIInChI=1S/C14H15BrN4OS/c15-10-5-9(6-17-7-10)13(20)14-18-12(8-21-14)19-3-1-11(16)2-4-19/h5-8,11H,1-4,16H2
InChIKeyVYYGSQGJUFKHKO-UHFFFAOYSA-N
XLogP2.46
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-bromo-3-pyridinyl)piperidin-4-amine
CID 70343493
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine
CID 130831630
(2-amino-5-bromo-3-pyridinyl)-[4-(1,4-diazepan-1-yl)-1,3-thiazol-2-yl]methanone;molecular hydrogen
CID 161032992
ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate
CID 68603079
(5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone
CID 67738847
5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 32865110
(4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone
CID 83558896
3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
CID 22269198
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669648
(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone
CID 43338411

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone?
The IUPAC name of [4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone (CID 123181298) is [4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone.
What is the SMILES notation for [4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone?
The canonical SMILES for [4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone is NC1CCN(c2csc(C(=O)c3cncc(Br)c3)n2)CC1.
What is the InChIKey of [4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone?
The InChIKey is VYYGSQGJUFKHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4OS/c15-10-5-9(6-17-7-10)13(20)14-18-12(8-21-14)19-3-1-11(16)2-4-19/h5-8,11H,1-4,16H2.
What are the key properties of [4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone?
[4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone has a molecular weight of 367.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-(5-bromo-3-pyridinyl)methanone is sourced from PubChem (CID 123181298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).