1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C15H20N4OS — CID 136530722

IUPAC1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC(CNC(=O)N1CCn2cccc2C1C)c1nccs1
InChIInChI=1S/C15H20N4OS/c1-11(14-16-5-9-21-14)10-17-15(20)19-8-7-18-6-3-4-13(18)12(19)2/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,17,20)
InChIKeySENSSVWZHIXPIY-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.83
Rot. Bonds3

About 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 136530722) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID136530722
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC(CNC(=O)N1CCn2cccc2C1C)c1nccs1
InChIInChI=1S/C15H20N4OS/c1-11(14-16-5-9-21-14)10-17-15(20)19-8-7-18-6-3-4-13(18)12(19)2/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,17,20)
InChIKeySENSSVWZHIXPIY-UHFFFAOYSA-N
XLogP2.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 128942253
1-[2-(1,3-thiazol-2-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114128675
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 42945263
4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide
CID 91661725
1-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 132762083
1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17462643
4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124619050
1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 166180094
(1R)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124627266
(1S)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124627265
2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 136530722) is 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CC(CNC(=O)N1CCn2cccc2C1C)c1nccs1.
What is the InChIKey of 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is SENSSVWZHIXPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11(14-16-5-9-21-14)10-17-15(20)19-8-7-18-6-3-4-13(18)12(19)2/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,17,20).
What are the key properties of 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 136530722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).