N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide

C21H18F3N5O3S2 — CID 151068837

IUPACN-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide
SMILESO=C(NC1(c2csc(NS(=O)(=O)C3CC3)n2)CC1)c1ccc(-c2cncc(C(F)(F)F)n2)cc1
InChIInChI=1S/C21H18F3N5O3S2/c22-21(23,24)16-10-25-9-15(26-16)12-1-3-13(4-2-12)18(30)28-20(7-8-20)17-11-33-19(27-17)29-34(31,32)14-5-6-14/h1-4,9-11,14H,5-8H2,(H,27,29)(H,28,30)
InChIKeyMHRUSHGPKFOQRD-UHFFFAOYSA-N
MW509.54 g/mol
LogP3.94
Rot. Bonds7

About N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide

N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide (PubChem CID 151068837) has the molecular formula C21H18F3N5O3S2 and a molecular weight of 509.54 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide
PubChem CID151068837
Molecular FormulaC21H18F3N5O3S2
Molecular Weight509.54 g/mol
Exact Mass509.08
IUPAC NameN-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide
SMILESO=C(NC1(c2csc(NS(=O)(=O)C3CC3)n2)CC1)c1ccc(-c2cncc(C(F)(F)F)n2)cc1
InChIInChI=1S/C21H18F3N5O3S2/c22-21(23,24)16-10-25-9-15(26-16)12-1-3-13(4-2-12)18(30)28-20(7-8-20)17-11-33-19(27-17)29-34(31,32)14-5-6-14/h1-4,9-11,14H,5-8H2,(H,27,29)(H,28,30)
InChIKeyMHRUSHGPKFOQRD-UHFFFAOYSA-N
XLogP3.94
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methoxypropyl]-2-fluoro-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide
CID 151904975
3-[2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-2-fluoro-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide
CID 177370806
N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
CID 163271081
6-[4-[[2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoyl]amino]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 138673878
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide
CID 138673738
4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide
CID 175895567
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide
CID 138673764
2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen
CID 155733994
N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271503
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide
CID 152650660
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]butanamide
CID 139503545
N-[4-[2-methyl-3-oxo-4-(4-pyrimidin-5-ylphenyl)butan-2-yl]-1,3-thiazol-2-yl]cyclopropanesulfonamide
CID 158557128

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide?
The IUPAC name of N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide (CID 151068837) is N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide?
The canonical SMILES for N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide is O=C(NC1(c2csc(NS(=O)(=O)C3CC3)n2)CC1)c1ccc(-c2cncc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide?
The InChIKey is MHRUSHGPKFOQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O3S2/c22-21(23,24)16-10-25-9-15(26-16)12-1-3-13(4-2-12)18(30)28-20(7-8-20)17-11-33-19(27-17)29-34(31,32)14-5-6-14/h1-4,9-11,14H,5-8H2,(H,27,29)(H,28,30).
What are the key properties of N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide?
N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide has a molecular weight of 509.54 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 151068837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).