2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine

C12H13BrN2S — CID 115717289

IUPAC2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
SMILESC=C(Br)CNC(C)c1cnc2ccsc2c1
InChIInChI=1S/C12H13BrN2S/c1-8(13)6-14-9(2)10-5-12-11(15-7-10)3-4-16-12/h3-5,7,9,14H,1,6H2,2H3
InChIKeyQIUDDWAPFHGOMS-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.86
Rot. Bonds4

About 2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine

2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine (PubChem CID 115717289) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
PubChem CID115717289
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
SMILESC=C(Br)CNC(C)c1cnc2ccsc2c1
InChIInChI=1S/C12H13BrN2S/c1-8(13)6-14-9(2)10-5-12-11(15-7-10)3-4-16-12/h3-5,7,9,14H,1,6H2,2H3
InChIKeyQIUDDWAPFHGOMS-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid
CID 64828783
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)ethane-1,2-diamine
CID 64830566
N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide
CID 115712639
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64828768
N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide
CID 64829172
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine
CID 64830568
N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 115713730
2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol
CID 115359066
2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol
CID 64928442
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine
CID 64830758
4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol
CID 64830374
1-phenyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethanol
CID 64830222

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine (CID 115717289) is 2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine is C=C(Br)CNC(C)c1cnc2ccsc2c1.
What is the InChIKey of 2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine?
The InChIKey is QIUDDWAPFHGOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-8(13)6-14-9(2)10-5-12-11(15-7-10)3-4-16-12/h3-5,7,9,14H,1,6H2,2H3.
What are the key properties of 2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine?
2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine has a molecular weight of 297.22 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 115717289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).