cyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone

C16H19N3OS2 — CID 30860598

IUPACcyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C16H19N3OS2/c20-16(12-3-4-12)19-7-5-18(6-8-19)10-15-17-13(11-22-15)14-2-1-9-21-14/h1-2,9,11-12H,3-8,10H2
InChIKeyRZLWGVPRNZAOIV-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.93
Rot. Bonds4

About cyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone

cyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 30860598) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is cyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID30860598
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Namecyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C16H19N3OS2/c20-16(12-3-4-12)19-7-5-18(6-8-19)10-15-17-13(11-22-15)14-2-1-9-21-14/h1-2,9,11-12H,3-8,10H2
InChIKeyRZLWGVPRNZAOIV-UHFFFAOYSA-N
XLogP2.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone (CID 30860598) is cyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1.
What is the InChIKey of cyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is RZLWGVPRNZAOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c20-16(12-3-4-12)19-7-5-18(6-8-19)10-15-17-13(11-22-15)14-2-1-9-21-14/h1-2,9,11-12H,3-8,10H2.
What are the key properties of cyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 333.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30860598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).