2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole

C19H25N7S — CID 23857813

IUPAC2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
SMILESc1ccc2sc(N3CCN(Cc4nnnn4C4CCCCC4)CC3)nc2c1
InChIInChI=1S/C19H25N7S/c1-2-6-15(7-3-1)26-18(21-22-23-26)14-24-10-12-25(13-11-24)19-20-16-8-4-5-9-17(16)27-19/h4-5,8-9,15H,1-3,6-7,10-14H2
InChIKeyJSAJNAVNLLGTQF-UHFFFAOYSA-N
MW383.53 g/mol
LogP3.11
Rot. Bonds4

About 2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole

2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole (PubChem CID 23857813) has the molecular formula C19H25N7S and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
PubChem CID23857813
Molecular FormulaC19H25N7S
Molecular Weight383.53 g/mol
Exact Mass383.19
IUPAC Name2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
SMILESc1ccc2sc(N3CCN(Cc4nnnn4C4CCCCC4)CC3)nc2c1
InChIInChI=1S/C19H25N7S/c1-2-6-15(7-3-1)26-18(21-22-23-26)14-24-10-12-25(13-11-24)19-20-16-8-4-5-9-17(16)27-19/h4-5,8-9,15H,1-3,6-7,10-14H2
InChIKeyJSAJNAVNLLGTQF-UHFFFAOYSA-N
XLogP3.11
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole (CID 23857813) is 2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole is c1ccc2sc(N3CCN(Cc4nnnn4C4CCCCC4)CC3)nc2c1.
What is the InChIKey of 2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole?
The InChIKey is JSAJNAVNLLGTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7S/c1-2-6-15(7-3-1)26-18(21-22-23-26)14-24-10-12-25(13-11-24)19-20-16-8-4-5-9-17(16)27-19/h4-5,8-9,15H,1-3,6-7,10-14H2.
What are the key properties of 2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole?
2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole has a molecular weight of 383.53 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 23857813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).