2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole

C20H20N6S — CID 9450580

IUPAC2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole
SMILESc1ccc(-c2nnn(CN3CCC(c4nc5ccccc5s4)CC3)n2)cc1
InChIInChI=1S/C20H20N6S/c1-2-6-15(7-3-1)19-22-24-26(23-19)14-25-12-10-16(11-13-25)20-21-17-8-4-5-9-18(17)27-20/h1-9,16H,10-14H2
InChIKeyUFSDQORUWJNMJL-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.79
Rot. Bonds4

About 2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole

2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole (PubChem CID 9450580) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole
PubChem CID9450580
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole
SMILESc1ccc(-c2nnn(CN3CCC(c4nc5ccccc5s4)CC3)n2)cc1
InChIInChI=1S/C20H20N6S/c1-2-6-15(7-3-1)19-22-24-26(23-19)14-25-12-10-16(11-13-25)20-21-17-8-4-5-9-18(17)27-20/h1-9,16H,10-14H2
InChIKeyUFSDQORUWJNMJL-UHFFFAOYSA-N
XLogP3.79
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidin-4-yl]-1,3-benzothiazole
CID 56561910
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol
CID 110931478
4-[[(3S)-3-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 51137070
1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 9241597
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone
CID 40891698
2-[1-[(4-tert-butylphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole
CID 3223430
2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]benzoic acid
CID 136550077
2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione
CID 9241580
1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone
CID 78835543
4-(1,3-benzothiazol-2-yl)cyclohexan-1-one
CID 116999899
6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
CID 9362035
2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-chlorobenzoic acid
CID 136550076

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole (CID 9450580) is 2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole is c1ccc(-c2nnn(CN3CCC(c4nc5ccccc5s4)CC3)n2)cc1.
What is the InChIKey of 2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole?
The InChIKey is UFSDQORUWJNMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S/c1-2-6-15(7-3-1)19-22-24-26(23-19)14-25-12-10-16(11-13-25)20-21-17-8-4-5-9-18(17)27-20/h1-9,16H,10-14H2.
What are the key properties of 2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole?
2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole has a molecular weight of 376.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-phenyltetrazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 9450580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).