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

C20H19F3N6O3S2 — CID 138674003

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cn1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C20H19F3N6O3S2/c1-19(2,15-10-33-18(27-15)29-34(31,32)12-4-5-12)17(30)28-16-6-3-11(7-25-16)13-8-24-9-14(26-13)20(21,22)23/h3,6-10,12H,4-5H2,1-2H3,(H,27,29)(H,25,28,30)
InChIKeyCZIDGRDZSFIUHX-UHFFFAOYSA-N
MW512.54 g/mol
LogP3.83
Rot. Bonds7

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

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propanamide (PubChem CID 138674003) has the molecular formula C20H19F3N6O3S2 and a molecular weight of 512.54 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propanamide
PubChem CID138674003
Molecular FormulaC20H19F3N6O3S2
Molecular Weight512.54 g/mol
Exact Mass512.09
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cn1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C20H19F3N6O3S2/c1-19(2,15-10-33-18(27-15)29-34(31,32)12-4-5-12)17(30)28-16-6-3-11(7-25-16)13-8-24-9-14(26-13)20(21,22)23/h3,6-10,12H,4-5H2,1-2H3,(H,27,29)(H,25,28,30)
InChIKeyCZIDGRDZSFIUHX-UHFFFAOYSA-N
XLogP3.83
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11647899
3-[(4-Methylphenyl)sulfonyl]-N~1~-[4-(2-pyridyl)-1,3-thiazol-2-YL]propanamide
CID 22581360
N-(2-(thiazol-2-yl)-3,4''-bipyridin-6-yl)cyclopropanecarboxamide
CID 46880420
N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide
CID 71682213
2-amino-N-[5-[5-(benzenesulfonamido)-6-methyl-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 145951830
(2R)-2-amino-N-[5-[5-(benzenesulfonamido)-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 145955070
(2S)-2-amino-N-[5-[5-(benzenesulfonamido)-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 145959429
2-amino-N-[5-[5-(benzenesulfonamido)-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 145972017
N-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 5309258
3-(4-methylbenzenesulfonyl)-N-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]propanamide
CID 22581356
3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 70789424
N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide
CID 70789450

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propanamide (CID 138674003) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propanamide is CC(C)(C(=O)Nc1ccc(-c2cncc(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)pyrazin-2-yl]-2-pyridinyl]propanamide?
The InChIKey is CZIDGRDZSFIUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O3S2/c1-19(2,15-10-33-18(27-15)29-34(31,32)12-4-5-12)17(30)28-16-6-3-11(7-25-16)13-8-24-9-14(26-13)20(21,22)23/h3,6-10,12H,4-5H2,1-2H3,(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)pyrazin-2-yl]-2-pyridinyl]propanamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]propanamide has a molecular weight of 512.54 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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)pyrazin-2-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 138674003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).