[2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C12H14BrN3S — CID 114361381

IUPAC[2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(-c2ccc(Br)cn2)sc1CN
InChIInChI=1S/C12H14BrN3S/c1-7(2)11-10(5-14)17-12(16-11)9-4-3-8(13)6-15-9/h3-4,6-7H,5,14H2,1-2H3
InChIKeyKEPSZBYFTKHWBW-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.55
Rot. Bonds3

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

[2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361381) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is [2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID114361381
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name[2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(-c2ccc(Br)cn2)sc1CN
InChIInChI=1S/C12H14BrN3S/c1-7(2)11-10(5-14)17-12(16-11)9-4-3-8(13)6-15-9/h3-4,6-7H,5,14H2,1-2H3
InChIKeyKEPSZBYFTKHWBW-UHFFFAOYSA-N
XLogP3.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 103375118
N-[[2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364132
(4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine
CID 114361469
1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364911
(2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
CID 114361405
(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114361436
N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367294
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393143
2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 135396636
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105180886
2-(5-bromo-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 66201515

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 114361381) is [2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CC(C)c1nc(-c2ccc(Br)cn2)sc1CN.
What is the InChIKey of [2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is KEPSZBYFTKHWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-7(2)11-10(5-14)17-12(16-11)9-4-3-8(13)6-15-9/h3-4,6-7H,5,14H2,1-2H3.
What are the key properties of [2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 312.24 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).