[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

C16H16N6OS — CID 715101

IUPAC[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C16H16N6OS/c23-15(14-17-11-18-20-14)21-6-8-22(9-7-21)16-19-13(10-24-16)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,17,18,20)
InChIKeyWSIHVCBLCRRHIV-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.89
Rot. Bonds3

About [4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 715101) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is [4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID715101
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C16H16N6OS/c23-15(14-17-11-18-20-14)21-6-8-22(9-7-21)16-19-13(10-24-16)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,17,18,20)
InChIKeyWSIHVCBLCRRHIV-UHFFFAOYSA-N
XLogP1.89
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 715101) is [4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of [4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is WSIHVCBLCRRHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-15(14-17-11-18-20-14)21-6-8-22(9-7-21)16-19-13(10-24-16)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,17,18,20).
What are the key properties of [4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 340.41 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 715101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).