(4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone

C17H18N4OS — CID 134799829

IUPAC(4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
SMILESCN1CCN(C(=O)c2cn3cc(-c4ccccc4)sc3n2)CC1
InChIInChI=1S/C17H18N4OS/c1-19-7-9-20(10-8-19)16(22)14-11-21-12-15(23-17(21)18-14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyGHSGTZOOEVWZRS-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.45
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone

(4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone (PubChem CID 134799829) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
PubChem CID134799829
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name(4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
SMILESCN1CCN(C(=O)c2cn3cc(-c4ccccc4)sc3n2)CC1
InChIInChI=1S/C17H18N4OS/c1-19-7-9-20(10-8-19)16(22)14-11-21-12-15(23-17(21)18-14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyGHSGTZOOEVWZRS-UHFFFAOYSA-N
XLogP2.45
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone (CID 134799829) is (4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone is CN1CCN(C(=O)c2cn3cc(-c4ccccc4)sc3n2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The InChIKey is GHSGTZOOEVWZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-19-7-9-20(10-8-19)16(22)14-11-21-12-15(23-17(21)18-14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
(4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone has a molecular weight of 326.43 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)methanone is sourced from PubChem (CID 134799829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).