azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole

C11H14N6OS — CID 174747019

IUPACazane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole
SMILESCCCOc1nnnn1-c1nc2ccccc2s1.N
InChIInChI=1S/C11H11N5OS.H3N/c1-2-7-17-10-13-14-15-16(10)11-12-8-5-3-4-6-9(8)18-11;/h3-6H,2,7H2,1H3;1H3
InChIKeyUTWPMHFYRVYBIX-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.22
Rot. Bonds4

About azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole

azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole (PubChem CID 174747019) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Nameazane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole
PubChem CID174747019
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Nameazane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole
SMILESCCCOc1nnnn1-c1nc2ccccc2s1.N
InChIInChI=1S/C11H11N5OS.H3N/c1-2-7-17-10-13-14-15-16(10)11-12-8-5-3-4-6-9(8)18-11;/h3-6H,2,7H2,1H3;1H3
InChIKeyUTWPMHFYRVYBIX-UHFFFAOYSA-N
XLogP2.22
TPSA100.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole?
The IUPAC name of azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole (CID 174747019) is azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole.
What is the SMILES notation for azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole?
The canonical SMILES for azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole is CCCOc1nnnn1-c1nc2ccccc2s1.N.
What is the InChIKey of azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole?
The InChIKey is UTWPMHFYRVYBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS.H3N/c1-2-7-17-10-13-14-15-16(10)11-12-8-5-3-4-6-9(8)18-11;/h3-6H,2,7H2,1H3;1H3.
What are the key properties of azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole?
azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole has a molecular weight of 278.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 174747019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).