4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide

C14H10BrN3OS — CID 72945548

IUPAC4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(Nc2ccccc2)c2cc(Br)sc12
InChIInChI=1S/C14H10BrN3OS/c15-11-6-9-12(20-11)10(13(16)19)7-17-14(9)18-8-4-2-1-3-5-8/h1-7H,(H2,16,19)(H,17,18)
InChIKeyWZAPQZZWZZYNQQ-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.90
Rot. Bonds3

About 4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide

4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide (PubChem CID 72945548) has the molecular formula C14H10BrN3OS and a molecular weight of 348.23 g/mol. Its IUPAC name is 4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide
PubChem CID72945548
Molecular FormulaC14H10BrN3OS
Molecular Weight348.23 g/mol
Exact Mass346.97
IUPAC Name4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(Nc2ccccc2)c2cc(Br)sc12
InChIInChI=1S/C14H10BrN3OS/c15-11-6-9-12(20-11)10(13(16)19)7-17-14(9)18-8-4-2-1-3-5-8/h1-7H,(H2,16,19)(H,17,18)
InChIKeyWZAPQZZWZZYNQQ-UHFFFAOYSA-N
XLogP3.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 11951723
CID 11951723
CID 11951901
CID 11951901
CID 58840713
CID 58840713
CID 72206638
CID 72206638
CID 50925625
CID 50925625
CID 17024255
CID 17024255
CID 10107882
CID 10107882
CID 11842628
CID 11842628
CID 11951725
CID 11951725
CID 11951726
CID 11951726
CID 11951728
CID 11951728
CID 11952439
CID 11952439

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide (CID 72945548) is 4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(Nc2ccccc2)c2cc(Br)sc12.
What is the InChIKey of 4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is WZAPQZZWZZYNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3OS/c15-11-6-9-12(20-11)10(13(16)19)7-17-14(9)18-8-4-2-1-3-5-8/h1-7H,(H2,16,19)(H,17,18).
What are the key properties of 4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide?
4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 348.23 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-bromothieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 72945548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).