bis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C15H20N6OS2 — CID 150449767

IUPACbis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2nccs2)CC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H20N6OS2/c22-15(20-7-3-18(4-8-20)13-16-1-11-23-13)21-9-5-19(6-10-21)14-17-2-12-24-14/h1-2,11-12H,3-10H2
InChIKeyHNNSFIWDUAUKKJ-UHFFFAOYSA-N
MW364.50 g/mol
LogP1.66
Rot. Bonds2

About bis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

bis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 150449767) has the molecular formula C15H20N6OS2 and a molecular weight of 364.50 g/mol. Its IUPAC name is bis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namebis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID150449767
Molecular FormulaC15H20N6OS2
Molecular Weight364.50 g/mol
Exact Mass364.11
IUPAC Namebis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2nccs2)CC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H20N6OS2/c22-15(20-7-3-18(4-8-20)13-16-1-11-23-13)21-9-5-19(6-10-21)14-17-2-12-24-14/h1-2,11-12H,3-10H2
InChIKeyHNNSFIWDUAUKKJ-UHFFFAOYSA-N
XLogP1.66
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of bis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 150449767) is bis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for bis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for bis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(N1CCN(c2nccs2)CC1)N1CCN(c2nccs2)CC1.
What is the InChIKey of bis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is HNNSFIWDUAUKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS2/c22-15(20-7-3-18(4-8-20)13-16-1-11-23-13)21-9-5-19(6-10-21)14-17-2-12-24-14/h1-2,11-12H,3-10H2.
What are the key properties of bis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
bis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 364.50 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 150449767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).