2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide

C11H12BrN3OS — CID 72945547

IUPAC2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide
SMILESCCCNc1ncc(C(N)=O)c2sc(Br)cc12
InChIInChI=1S/C11H12BrN3OS/c1-2-3-14-11-6-4-8(12)17-9(6)7(5-15-11)10(13)16/h4-5H,2-3H2,1H3,(H2,13,16)(H,14,15)
InChIKeyVKZWNNXZBWTZII-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.98
Rot. Bonds4

About 2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide

2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 72945547) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide
PubChem CID72945547
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide
SMILESCCCNc1ncc(C(N)=O)c2sc(Br)cc12
InChIInChI=1S/C11H12BrN3OS/c1-2-3-14-11-6-4-8(12)17-9(6)7(5-15-11)10(13)16/h4-5H,2-3H2,1H3,(H2,13,16)(H,14,15)
InChIKeyVKZWNNXZBWTZII-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 11951901
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CID 58840713
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CID 72206638
CID 72206638
CID 17024255
CID 17024255
CID 10107882
CID 10107882
CID 11842628
CID 11842628
CID 11951728
CID 11951728
CID 11952439
CID 11952439
CID 52948643
CID 52948643
CID 52949847
CID 52949847
CID 69011075
CID 69011075
CID 69011601
CID 69011601

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide (CID 72945547) is 2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide is CCCNc1ncc(C(N)=O)c2sc(Br)cc12.
What is the InChIKey of 2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is VKZWNNXZBWTZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-2-3-14-11-6-4-8(12)17-9(6)7(5-15-11)10(13)16/h4-5H,2-3H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide?
2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 314.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 72945547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).