3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide

C10H8ClN3OS — CID 61094139

IUPAC3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H8ClN3OS/c11-6-1-2-8(13-5-6)14-10(15)9-7(12)3-4-16-9/h1-5H,12H2,(H,13,14,15)
InChIKeyFXJAUTITSHENPP-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.63
Rot. Bonds2

About 3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide

3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 61094139) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
PubChem CID61094139
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H8ClN3OS/c11-6-1-2-8(13-5-6)14-10(15)9-7(12)3-4-16-9/h1-5H,12H2,(H,13,14,15)
InChIKeyFXJAUTITSHENPP-UHFFFAOYSA-N
XLogP2.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide (CID 61094139) is 3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide is Nc1ccsc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is FXJAUTITSHENPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c11-6-1-2-8(13-5-6)14-10(15)9-7(12)3-4-16-9/h1-5H,12H2,(H,13,14,15).
What are the key properties of 3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 253.71 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 61094139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).