1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine

C10H13BrN4S — CID 104585466

IUPAC1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine
SMILESCC(Cn1cc(Br)cn1)NCc1cncs1
InChIInChI=1S/C10H13BrN4S/c1-8(5-15-6-9(11)2-14-15)13-4-10-3-12-7-16-10/h2-3,6-8,13H,4-5H2,1H3
InChIKeyWDGOMWJUECDOHU-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.28
Rot. Bonds5

About 1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine

1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine (PubChem CID 104585466) has the molecular formula C10H13BrN4S and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine
PubChem CID104585466
Molecular FormulaC10H13BrN4S
Molecular Weight301.21 g/mol
Exact Mass300.00
IUPAC Name1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine
SMILESCC(Cn1cc(Br)cn1)NCc1cncs1
InChIInChI=1S/C10H13BrN4S/c1-8(5-15-6-9(11)2-14-15)13-4-10-3-12-7-16-10/h2-3,6-8,13H,4-5H2,1H3
InChIKeyWDGOMWJUECDOHU-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine
CID 115726379
1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
CID 115705468
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pentan-3-amine
CID 115705013
(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol
CID 94578466
2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 103391134
1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine
CID 115892783
5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine
CID 62759038
(3R)-3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 103854616
3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 81421993
1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 75382680
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 62758526

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine?
The IUPAC name of 1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine (CID 104585466) is 1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine is CC(Cn1cc(Br)cn1)NCc1cncs1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine?
The InChIKey is WDGOMWJUECDOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4S/c1-8(5-15-6-9(11)2-14-15)13-4-10-3-12-7-16-10/h2-3,6-8,13H,4-5H2,1H3.
What are the key properties of 1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine?
1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine has a molecular weight of 301.21 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 104585466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).