5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide

C13H10ClF3IN3OS — CID 146536305

IUPAC5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide
SMILESC[C@@H](N)c1sc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)cc1I
InChIInChI=1S/C13H10ClF3IN3OS/c1-5(19)11-8(18)3-9(23-11)12(22)21-10-2-6(13(15,16)17)7(14)4-20-10/h2-5H,19H2,1H3,(H,20,21,22)/t5-/m1/s1
InChIKeyZVWVLLNOGQRVHC-RXMQYKEDSA-N
MW475.66 g/mol
LogP4.69
Rot. Bonds3

About 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide

5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide (PubChem CID 146536305) has the molecular formula C13H10ClF3IN3OS and a molecular weight of 475.66 g/mol. Its IUPAC name is 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide
PubChem CID146536305
Molecular FormulaC13H10ClF3IN3OS
Molecular Weight475.66 g/mol
Exact Mass474.92
IUPAC Name5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide
SMILESC[C@@H](N)c1sc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)cc1I
InChIInChI=1S/C13H10ClF3IN3OS/c1-5(19)11-8(18)3-9(23-11)12(22)21-10-2-6(13(15,16)17)7(14)4-20-10/h2-5H,19H2,1H3,(H,20,21,22)/t5-/m1/s1
InChIKeyZVWVLLNOGQRVHC-RXMQYKEDSA-N
XLogP4.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide?
The IUPAC name of 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide (CID 146536305) is 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide.
What is the SMILES notation for 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide?
The canonical SMILES for 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide is C[C@@H](N)c1sc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)cc1I.
What is the InChIKey of 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide?
The InChIKey is ZVWVLLNOGQRVHC-RXMQYKEDSA-N. The full InChI is InChI=1S/C13H10ClF3IN3OS/c1-5(19)11-8(18)3-9(23-11)12(22)21-10-2-6(13(15,16)17)7(14)4-20-10/h2-5H,19H2,1H3,(H,20,21,22)/t5-/m1/s1.
What are the key properties of 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide?
5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide has a molecular weight of 475.66 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-iodothiophene-2-carboxamide is sourced from PubChem (CID 146536305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).