N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide

C18H14F3N5O3S2 — CID 90527748

IUPACN-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CC2)c1cnccn1
InChIInChI=1S/C18H14F3N5O3S2/c19-18(20,21)11-1-3-12(4-2-11)31(28,29)26-8-5-13-15(10-26)30-17(24-13)25-16(27)14-9-22-6-7-23-14/h1-4,6-7,9H,5,8,10H2,(H,24,25,27)
InChIKeyAUFPZURNOWXSOW-UHFFFAOYSA-N
MW469.47 g/mol
LogP2.95
Rot. Bonds4

About N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide

N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide (PubChem CID 90527748) has the molecular formula C18H14F3N5O3S2 and a molecular weight of 469.47 g/mol. Its IUPAC name is N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
PubChem CID90527748
Molecular FormulaC18H14F3N5O3S2
Molecular Weight469.47 g/mol
Exact Mass469.05
IUPAC NameN-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CC2)c1cnccn1
InChIInChI=1S/C18H14F3N5O3S2/c19-18(20,21)11-1-3-12(4-2-11)31(28,29)26-8-5-13-15(10-26)30-17(24-13)25-16(27)14-9-22-6-7-23-14/h1-4,6-7,9H,5,8,10H2,(H,24,25,27)
InChIKeyAUFPZURNOWXSOW-UHFFFAOYSA-N
XLogP2.95
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 50832441
N-[5-(4-nitrophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527708
N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527586
N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 90527746
1-propan-2-yl-3-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 71788169
N-(5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 90527723
methyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate
CID 90527757
N-(5-naphthalen-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide
CID 90528682
N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
CID 50832532
N-[5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528722
N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527541
N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 71788084

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide (CID 90527748) is N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide is O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CC2)c1cnccn1.
What is the InChIKey of N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The InChIKey is AUFPZURNOWXSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O3S2/c19-18(20,21)11-1-3-12(4-2-11)31(28,29)26-8-5-13-15(10-26)30-17(24-13)25-16(27)14-9-22-6-7-23-14/h1-4,6-7,9H,5,8,10H2,(H,24,25,27).
What are the key properties of N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide has a molecular weight of 469.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 90527748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).