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

C14H17N5O3S2 — CID 90527746

IUPACN-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
SMILESCC(C)S(=O)(=O)N1CCc2nc(NC(=O)c3cnccn3)sc2C1
InChIInChI=1S/C14H17N5O3S2/c1-9(2)24(21,22)19-6-3-10-12(8-19)23-14(17-10)18-13(20)11-7-15-4-5-16-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,17,18,20)
InChIKeyCTVHCYZKVYEVTN-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.28
Rot. Bonds4

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

N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide (PubChem CID 90527746) has the molecular formula C14H17N5O3S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
PubChem CID90527746
Molecular FormulaC14H17N5O3S2
Molecular Weight367.46 g/mol
Exact Mass367.08
IUPAC NameN-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
SMILESCC(C)S(=O)(=O)N1CCc2nc(NC(=O)c3cnccn3)sc2C1
InChIInChI=1S/C14H17N5O3S2/c1-9(2)24(21,22)19-6-3-10-12(8-19)23-14(17-10)18-13(20)11-7-15-4-5-16-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,17,18,20)
InChIKeyCTVHCYZKVYEVTN-UHFFFAOYSA-N
XLogP1.28
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.28
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-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 90527723
N-propan-2-yl-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90527695
N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527616
N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527748
N-[5-(4-nitrophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527708
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
4-fluoro-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532715
4-cyano-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532820
N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527382
2-phenyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532758
N-[5-(2,2-diphenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527462

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide (CID 90527746) is N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide is CC(C)S(=O)(=O)N1CCc2nc(NC(=O)c3cnccn3)sc2C1.
What is the InChIKey of N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide?
The InChIKey is CTVHCYZKVYEVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S2/c1-9(2)24(21,22)19-6-3-10-12(8-19)23-14(17-10)18-13(20)11-7-15-4-5-16-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide?
N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 90527746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).