3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide

C11H10BrN3OS — CID 113465232

IUPAC3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESC=C(Br)CNC(=O)c1sc2ncccc2c1N
InChIInChI=1S/C11H10BrN3OS/c1-6(12)5-15-10(16)9-8(13)7-3-2-4-14-11(7)17-9/h2-4H,1,5,13H2,(H,15,16)
InChIKeyMNJVUVXRLBOLKV-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.52
Rot. Bonds3

About 3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 113465232) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is 3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID113465232
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESC=C(Br)CNC(=O)c1sc2ncccc2c1N
InChIInChI=1S/C11H10BrN3OS/c1-6(12)5-15-10(16)9-8(13)7-3-2-4-14-11(7)17-9/h2-4H,1,5,13H2,(H,15,16)
InChIKeyMNJVUVXRLBOLKV-UHFFFAOYSA-N
XLogP2.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

A-794278
CID 11537456
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
3-Amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
CID 613528
A-794282
CID 11530404
3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
9-dimethylamino-3-(p-bromophenyl)-3H-5-thia-1,3,6-triazafluoren-4-one
CID 11574901
5-(4-Bromophenyl)-13-(methylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 15953801
5-(4-Bromophenyl)-13-(dimethylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118123
5-(4-Bromophenyl)-13-(prop-2-ynylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 23634249
5-(4-Bromophenyl)-13-(prop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54580485
5-(4-Methylphenyl)-13-(2-methylprop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54585405
3-Amino-4-pyridin-3-yl-6,7-dihydro-5H-1-thia-8-aza-s-indacene-2-carboxylic acid amide
CID 706211

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide (CID 113465232) is 3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide is C=C(Br)CNC(=O)c1sc2ncccc2c1N.
What is the InChIKey of 3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MNJVUVXRLBOLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-6(12)5-15-10(16)9-8(13)7-3-2-4-14-11(7)17-9/h2-4H,1,5,13H2,(H,15,16).
What are the key properties of 3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 113465232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).