3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide

C15H19N3OS — CID 110197158

IUPAC3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC1Cn2cccc2CN1C
InChIInChI=1S/C15H19N3OS/c1-11-5-7-20-14(11)15(19)16-8-13-10-18-6-3-4-12(18)9-17(13)2/h3-7,13H,8-10H2,1-2H3,(H,16,19)
InChIKeyLNWORGIBULKPMM-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.10
Rot. Bonds3

About 3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide

3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 110197158) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID110197158
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC1Cn2cccc2CN1C
InChIInChI=1S/C15H19N3OS/c1-11-5-7-20-14(11)15(19)16-8-13-10-18-6-3-4-12(18)9-17(13)2/h3-7,13H,8-10H2,1-2H3,(H,16,19)
InChIKeyLNWORGIBULKPMM-UHFFFAOYSA-N
XLogP2.10
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-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 3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide (CID 110197158) is 3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NCC1Cn2cccc2CN1C.
What is the InChIKey of 3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is LNWORGIBULKPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-5-7-20-14(11)15(19)16-8-13-10-18-6-3-4-12(18)9-17(13)2/h3-7,13H,8-10H2,1-2H3,(H,16,19).
What are the key properties of 3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide?
3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 110197158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).