1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C18H24N4OS — CID 18136700

IUPAC1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(C(=O)CN2CCN(c3nccs3)CC2)c(C)n1C1CC1
InChIInChI=1S/C18H24N4OS/c1-13-11-16(14(2)22(13)15-3-4-15)17(23)12-20-6-8-21(9-7-20)18-19-5-10-24-18/h5,10-11,15H,3-4,6-9,12H2,1-2H3
InChIKeyDIOZRDKMICYONO-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.90
Rot. Bonds5

About 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 18136700) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID18136700
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(C(=O)CN2CCN(c3nccs3)CC2)c(C)n1C1CC1
InChIInChI=1S/C18H24N4OS/c1-13-11-16(14(2)22(13)15-3-4-15)17(23)12-20-6-8-21(9-7-20)18-19-5-10-24-18/h5,10-11,15H,3-4,6-9,12H2,1-2H3
InChIKeyDIOZRDKMICYONO-UHFFFAOYSA-N
XLogP2.90
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 18136700) is 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is Cc1cc(C(=O)CN2CCN(c3nccs3)CC2)c(C)n1C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is DIOZRDKMICYONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-11-16(14(2)22(13)15-3-4-15)17(23)12-20-6-8-21(9-7-20)18-19-5-10-24-18/h5,10-11,15H,3-4,6-9,12H2,1-2H3.
What are the key properties of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 344.48 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 18136700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).