[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

C23H19N7OS2 — CID 46412551

IUPAC[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H19N7OS2/c31-22(20-11-10-19(32-20)21-24-17-8-4-5-9-18(17)33-21)28-12-14-29(15-13-28)23-25-26-27-30(23)16-6-2-1-3-7-16/h1-11H,12-15H2
InChIKeyQCPPWTXKRZWZIM-UHFFFAOYSA-N
MW473.59 g/mol
LogP3.96
Rot. Bonds4

About [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (PubChem CID 46412551) has the molecular formula C23H19N7OS2 and a molecular weight of 473.59 g/mol. Its IUPAC name is [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
PubChem CID46412551
Molecular FormulaC23H19N7OS2
Molecular Weight473.59 g/mol
Exact Mass473.11
IUPAC Name[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H19N7OS2/c31-22(20-11-10-19(32-20)21-24-17-8-4-5-9-18(17)33-21)28-12-14-29(15-13-28)23-25-26-27-30(23)16-6-2-1-3-7-16/h1-11H,12-15H2
InChIKeyQCPPWTXKRZWZIM-UHFFFAOYSA-N
XLogP3.96
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (CID 46412551) is [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is QCPPWTXKRZWZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7OS2/c31-22(20-11-10-19(32-20)21-24-17-8-4-5-9-18(17)33-21)28-12-14-29(15-13-28)23-25-26-27-30(23)16-6-2-1-3-7-16/h1-11H,12-15H2.
What are the key properties of [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 473.59 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46412551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).