5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine

C12H14BrN3S — CID 103518129

IUPAC5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine
SMILESCC(Cc1cccs1)Nc1c(N)cncc1Br
InChIInChI=1S/C12H14BrN3S/c1-8(5-9-3-2-4-17-9)16-12-10(13)6-15-7-11(12)14/h2-4,6-8H,5,14H2,1H3,(H,15,16)
InChIKeyAZUJSVAABAZFPP-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.53
Rot. Bonds4

About 5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine

5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine (PubChem CID 103518129) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine
PubChem CID103518129
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine
SMILESCC(Cc1cccs1)Nc1c(N)cncc1Br
InChIInChI=1S/C12H14BrN3S/c1-8(5-9-3-2-4-17-9)16-12-10(13)6-15-7-11(12)14/h2-4,6-8H,5,14H2,1H3,(H,15,16)
InChIKeyAZUJSVAABAZFPP-UHFFFAOYSA-N
XLogP3.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
CID 103963293
2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol
CID 103517708
5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 115922260
5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine
CID 103518468
N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949355
5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine
CID 103518535
4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide
CID 63292300
4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine
CID 103590392
N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 73254462
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine
CID 83061047

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine (CID 103518129) is 5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine is CC(Cc1cccs1)Nc1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine?
The InChIKey is AZUJSVAABAZFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-8(5-9-3-2-4-17-9)16-12-10(13)6-15-7-11(12)14/h2-4,6-8H,5,14H2,1H3,(H,15,16).
What are the key properties of 5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine?
5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine has a molecular weight of 312.24 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine is sourced from PubChem (CID 103518129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).