(4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide

C14H18F3N3OS — CID 129397121

IUPAC(4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)cs1)N1CCC[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H18F3N3OS/c15-14(16,17)11-8-22-12(19-11)7-18-13(21)20-6-2-4-9-3-1-5-10(9)20/h8-10H,1-7H2,(H,18,21)/t9-,10-/m0/s1
InChIKeyJURVCWREVQVRFV-UWVGGRQHSA-N
MW333.38 g/mol
LogP3.64
Rot. Bonds2

About (4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide

(4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide (PubChem CID 129397121) has the molecular formula C14H18F3N3OS and a molecular weight of 333.38 g/mol. Its IUPAC name is (4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide.

Molecular Properties

Compound Name(4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
PubChem CID129397121
Molecular FormulaC14H18F3N3OS
Molecular Weight333.38 g/mol
Exact Mass333.11
IUPAC Name(4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)cs1)N1CCC[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H18F3N3OS/c15-14(16,17)11-8-22-12(19-11)7-18-13(21)20-6-2-4-9-3-1-5-10(9)20/h8-10H,1-7H2,(H,18,21)/t9-,10-/m0/s1
InChIKeyJURVCWREVQVRFV-UWVGGRQHSA-N
XLogP3.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The IUPAC name of (4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide (CID 129397121) is (4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide.
What is the SMILES notation for (4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The canonical SMILES for (4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide is O=C(NCc1nc(C(F)(F)F)cs1)N1CCC[C@@H]2CCC[C@@H]21.
What is the InChIKey of (4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The InChIKey is JURVCWREVQVRFV-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H18F3N3OS/c15-14(16,17)11-8-22-12(19-11)7-18-13(21)20-6-2-4-9-3-1-5-10(9)20/h8-10H,1-7H2,(H,18,21)/t9-,10-/m0/s1.
What are the key properties of (4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
(4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aS)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide is sourced from PubChem (CID 129397121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).