2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole

C26H26N8S — CID 650140

IUPAC2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole
SMILESc1ccc(CCn2nnnc2C(c2cccnc2)N2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C26H26N8S/c1-2-7-20(8-3-1)12-14-34-25(29-30-31-34)24(21-9-6-13-27-19-21)32-15-17-33(18-16-32)26-28-22-10-4-5-11-23(22)35-26/h1-11,13,19,24H,12,14-18H2
InChIKeyUHZJZORNVAHDIO-UHFFFAOYSA-N
MW482.62 g/mol
LogP3.83
Rot. Bonds7

About 2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole

2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole (PubChem CID 650140) has the molecular formula C26H26N8S and a molecular weight of 482.62 g/mol. Its IUPAC name is 2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole
PubChem CID650140
Molecular FormulaC26H26N8S
Molecular Weight482.62 g/mol
Exact Mass482.20
IUPAC Name2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole
SMILESc1ccc(CCn2nnnc2C(c2cccnc2)N2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C26H26N8S/c1-2-7-20(8-3-1)12-14-34-25(29-30-31-34)24(21-9-6-13-27-19-21)32-15-17-33(18-16-32)26-28-22-10-4-5-11-23(22)35-26/h1-11,13,19,24H,12,14-18H2
InChIKeyUHZJZORNVAHDIO-UHFFFAOYSA-N
XLogP3.83
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole with MolForge

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Related Compounds

3-(2-Amino-1,3-Benzothiazol-6-Yl)-1-{[2-(4-Methylpiperazin-1-Yl)quinolin-3-Yl]methyl}-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 44475990
TH1020
CID 124203921
1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
S-21007
CID 9863146
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
2-(4-{5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazin-1-yl)-1,3-benzothiazole
CID 655948
2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483
4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
N-[4-[2-(dimethylamino)-1-(1,2,4-triazol-1-yl)propyl]phenyl]-1,3-benzothiazol-2-amine
CID 9821132
8-(4-Benzylpiperazin-1-yl)-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 10247171
N-(4-(benzo[d]thiazol-2-yl)phenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 44564751
2-(1,4''-Bipiperidin-1''-yl)-6-(6-methylpyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482687

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole (CID 650140) is 2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole is c1ccc(CCn2nnnc2C(c2cccnc2)N2CCN(c3nc4ccccc4s3)CC2)cc1.
What is the InChIKey of 2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole?
The InChIKey is UHZJZORNVAHDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8S/c1-2-7-20(8-3-1)12-14-34-25(29-30-31-34)24(21-9-6-13-27-19-21)32-15-17-33(18-16-32)26-28-22-10-4-5-11-23(22)35-26/h1-11,13,19,24H,12,14-18H2.
What are the key properties of 2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole?
2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole has a molecular weight of 482.62 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 650140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).