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

C18H23N7OS — CID 649421

IUPAC2-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole
SMILESc1ccc2sc(N3CCN(Cc4nnnn4CC4CCCO4)CC3)nc2c1
InChIInChI=1S/C18H23N7OS/c1-2-6-16-15(5-1)19-18(27-16)24-9-7-23(8-10-24)13-17-20-21-22-25(17)12-14-4-3-11-26-14/h1-2,5-6,14H,3-4,7-13H2
InChIKeyMIGQZAXOUUAXBP-UHFFFAOYSA-N
MW385.50 g/mol
LogP1.78
Rot. Bonds5

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

2-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole (PubChem CID 649421) has the molecular formula C18H23N7OS and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole
PubChem CID649421
Molecular FormulaC18H23N7OS
Molecular Weight385.50 g/mol
Exact Mass385.17
IUPAC Name2-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole
SMILESc1ccc2sc(N3CCN(Cc4nnnn4CC4CCCO4)CC3)nc2c1
InChIInChI=1S/C18H23N7OS/c1-2-6-16-15(5-1)19-18(27-16)24-9-7-23(8-10-24)13-17-20-21-22-25(17)12-14-4-3-11-26-14/h1-2,5-6,14H,3-4,7-13H2
InChIKeyMIGQZAXOUUAXBP-UHFFFAOYSA-N
XLogP1.78
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-[4-(1-Thiophen-2-ylmethyl-1H-tetrazol-5-ylmethyl)-piperazin-1-yl]-benzothiazole
CID 650572
2-{4-[1-(1-Thiophen-2-ylmethyl-1H-tetrazol-5-yl)-propyl]-piperazin-1-yl}-benzothiazole
CID 653717
2-{4-[1-(1-Thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-benzothiazole
CID 647731
2-(4-{3-Methyl-1-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-butyl}-piperazin-1-yl)-benzothiazole
CID 648911
2-(4-{[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-piperazin-1-yl)-benzothiazole
CID 655073
2-(4-{1-[1-(Tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-butyl}-piperazin-1-yl)-benzothiazole
CID 3195671
2-[4-[1-[1-(2-Methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]-1,3-benzothiazole
CID 3209244
2-{4-[3-Methyl-1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-benzothiazole
CID 3210250
4-(1,3-Benzothiazol-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 72043953
2-[4-[1-[1-(Thiophen-2-ylmethyl)tetrazol-5-yl]ethyl]piperazin-1-yl]-1,3-benzothiazole
CID 127041730
4-Fluoro-2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-1,3-benzothiazole
CID 127042419
7-Fluoro-2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-1,3-benzothiazole
CID 127042424

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole (CID 649421) is 2-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole is c1ccc2sc(N3CCN(Cc4nnnn4CC4CCCO4)CC3)nc2c1.
What is the InChIKey of 2-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole?
The InChIKey is MIGQZAXOUUAXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7OS/c1-2-6-16-15(5-1)19-18(27-16)24-9-7-23(8-10-24)13-17-20-21-22-25(17)12-14-4-3-11-26-14/h1-2,5-6,14H,3-4,7-13H2.
What are the key properties of 2-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole?
2-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole has a molecular weight of 385.50 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 649421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).