2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide

C19H19FN4OS2 — CID 118618316

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(N3CCN4CCCC4C3)nc2s1
InChIInChI=1S/C19H19FN4OS2/c20-12-3-5-13(6-4-12)21-17(25)15-10-16-18(26-15)22-19(27-16)24-9-8-23-7-1-2-14(23)11-24/h3-6,10,14H,1-2,7-9,11H2,(H,21,25)
InChIKeyKDUTZOGHZDZAMI-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.03
Rot. Bonds3

About 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618316) has the molecular formula C19H19FN4OS2 and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618316
Molecular FormulaC19H19FN4OS2
Molecular Weight402.52 g/mol
Exact Mass402.10
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(N3CCN4CCCC4C3)nc2s1
InChIInChI=1S/C19H19FN4OS2/c20-12-3-5-13(6-4-12)21-17(25)15-10-16-18(26-15)22-19(27-16)24-9-8-23-7-1-2-14(23)11-24/h3-6,10,14H,1-2,7-9,11H2,(H,21,25)
InChIKeyKDUTZOGHZDZAMI-UHFFFAOYSA-N
XLogP4.03
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618316) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2sc(N3CCN4CCCC4C3)nc2s1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is KDUTZOGHZDZAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS2/c20-12-3-5-13(6-4-12)21-17(25)15-10-16-18(26-15)22-19(27-16)24-9-8-23-7-1-2-14(23)11-24/h3-6,10,14H,1-2,7-9,11H2,(H,21,25).
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).