2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide

C21H20F3N5O3S2 — CID 138673738

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cccc(C(F)(F)F)n2)cn1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H20F3N5O3S2/c1-20(2,16-11-33-19(27-16)29-34(31,32)13-7-8-13)18(30)28-17-9-6-12(10-25-17)14-4-3-5-15(26-14)21(22,23)24/h3-6,9-11,13H,7-8H2,1-2H3,(H,27,29)(H,25,28,30)
InChIKeyCDJNALKPQUJSKK-UHFFFAOYSA-N
MW511.55 g/mol
LogP4.44
Rot. Bonds7

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide (PubChem CID 138673738) has the molecular formula C21H20F3N5O3S2 and a molecular weight of 511.55 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide
PubChem CID138673738
Molecular FormulaC21H20F3N5O3S2
Molecular Weight511.55 g/mol
Exact Mass511.10
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cccc(C(F)(F)F)n2)cn1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H20F3N5O3S2/c1-20(2,16-11-33-19(27-16)29-34(31,32)13-7-8-13)18(30)28-17-9-6-12(10-25-17)14-4-3-5-15(26-14)21(22,23)24/h3-6,9-11,13H,7-8H2,1-2H3,(H,27,29)(H,25,28,30)
InChIKeyCDJNALKPQUJSKK-UHFFFAOYSA-N
XLogP4.44
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.55
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide (CID 138673738) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide is CC(C)(C(=O)Nc1ccc(-c2cccc(C(F)(F)F)n2)cn1)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide?
The InChIKey is CDJNALKPQUJSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O3S2/c1-20(2,16-11-33-19(27-16)29-34(31,32)13-7-8-13)18(30)28-17-9-6-12(10-25-17)14-4-3-5-15(26-14)21(22,23)24/h3-6,9-11,13H,7-8H2,1-2H3,(H,27,29)(H,25,28,30).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide has a molecular weight of 511.55 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 138673738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).