(3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C14H14FN5O2S — CID 124507844

IUPAC(3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESC[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc3ccc(F)cn3n1)CS2
InChIInChI=1S/C14H14FN5O2S/c1-14-5-4-11(21)20(14)9(7-23-14)12(22)17-13-16-10-3-2-8(15)6-19(10)18-13/h2-3,6,9H,4-5,7H2,1H3,(H,17,18,22)/t9-,14-/m1/s1
InChIKeyAWRNMKIMVFNEGE-YMTOWFKASA-N
MW335.36 g/mol
LogP1.26
Rot. Bonds2

About (3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

(3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 124507844) has the molecular formula C14H14FN5O2S and a molecular weight of 335.36 g/mol. Its IUPAC name is (3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name(3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID124507844
Molecular FormulaC14H14FN5O2S
Molecular Weight335.36 g/mol
Exact Mass335.09
IUPAC Name(3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESC[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc3ccc(F)cn3n1)CS2
InChIInChI=1S/C14H14FN5O2S/c1-14-5-4-11(21)20(14)9(7-23-14)12(22)17-13-16-10-3-2-8(15)6-19(10)18-13/h2-3,6,9H,4-5,7H2,1H3,(H,17,18,22)/t9-,14-/m1/s1
InChIKeyAWRNMKIMVFNEGE-YMTOWFKASA-N
XLogP1.26
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of (3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 124507844) is (3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for (3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for (3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc3ccc(F)cn3n1)CS2.
What is the InChIKey of (3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is AWRNMKIMVFNEGE-YMTOWFKASA-N. The full InChI is InChI=1S/C14H14FN5O2S/c1-14-5-4-11(21)20(14)9(7-23-14)12(22)17-13-16-10-3-2-8(15)6-19(10)18-13/h2-3,6,9H,4-5,7H2,1H3,(H,17,18,22)/t9-,14-/m1/s1.
What are the key properties of (3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
(3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7aR)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 124507844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).