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

C14H13ClF3N3OS — CID 146536309

IUPAC5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)sc1[C@@H](C)N
InChIInChI=1S/C14H13ClF3N3OS/c1-6-3-10(23-12(6)7(2)19)13(22)21-11-4-8(14(16,17)18)9(15)5-20-11/h3-5,7H,19H2,1-2H3,(H,20,21,22)/t7-/m1/s1
InChIKeyNHZVFOVCRWNCSH-SSDOTTSWSA-N
MW363.79 g/mol
LogP4.40
Rot. Bonds3

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

5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-methylthiophene-2-carboxamide (PubChem CID 146536309) has the molecular formula C14H13ClF3N3OS and a molecular weight of 363.79 g/mol. Its IUPAC name is 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-methylthiophene-2-carboxamide
PubChem CID146536309
Molecular FormulaC14H13ClF3N3OS
Molecular Weight363.79 g/mol
Exact Mass363.04
IUPAC Name5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)sc1[C@@H](C)N
InChIInChI=1S/C14H13ClF3N3OS/c1-6-3-10(23-12(6)7(2)19)13(22)21-11-4-8(14(16,17)18)9(15)5-20-11/h3-5,7H,19H2,1-2H3,(H,20,21,22)/t7-/m1/s1
InChIKeyNHZVFOVCRWNCSH-SSDOTTSWSA-N
XLogP4.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-methylthiophene-2-carboxamide?
The IUPAC name of 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-methylthiophene-2-carboxamide (CID 146536309) is 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)sc1[C@@H](C)N.
What is the InChIKey of 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-methylthiophene-2-carboxamide?
The InChIKey is NHZVFOVCRWNCSH-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H13ClF3N3OS/c1-6-3-10(23-12(6)7(2)19)13(22)21-11-4-8(14(16,17)18)9(15)5-20-11/h3-5,7H,19H2,1-2H3,(H,20,21,22)/t7-/m1/s1.
What are the key properties of 5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-methylthiophene-2-carboxamide?
5-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-methylthiophene-2-carboxamide has a molecular weight of 363.79 g/mol, XLogP of 4.40, 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-methylthiophene-2-carboxamide is sourced from PubChem (CID 146536309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).