2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one

C19H19N5OS — CID 71231674

IUPAC2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(CN3CCN(c4nccs4)CC3)cn2c2ccccc12
InChIInChI=1S/C19H19N5OS/c25-18-15-3-1-2-4-16(15)24-13-14(11-17(24)21-18)12-22-6-8-23(9-7-22)19-20-5-10-26-19/h1-5,10-11,13H,6-9,12H2,(H,21,25)
InChIKeyHVDUCBCFGAKGNR-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.56
Rot. Bonds3

About 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one

2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one (PubChem CID 71231674) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
PubChem CID71231674
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(CN3CCN(c4nccs4)CC3)cn2c2ccccc12
InChIInChI=1S/C19H19N5OS/c25-18-15-3-1-2-4-16(15)24-13-14(11-17(24)21-18)12-22-6-8-23(9-7-22)19-20-5-10-26-19/h1-5,10-11,13H,6-9,12H2,(H,21,25)
InChIKeyHVDUCBCFGAKGNR-UHFFFAOYSA-N
XLogP2.56
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The IUPAC name of 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one (CID 71231674) is 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one is O=c1[nH]c2cc(CN3CCN(c4nccs4)CC3)cn2c2ccccc12.
What is the InChIKey of 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The InChIKey is HVDUCBCFGAKGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c25-18-15-3-1-2-4-16(15)24-13-14(11-17(24)21-18)12-22-6-8-23(9-7-22)19-20-5-10-26-19/h1-5,10-11,13H,6-9,12H2,(H,21,25).
What are the key properties of 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one has a molecular weight of 365.46 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 71231674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).