1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione

C11H13N5OS — CID 63180332

IUPAC1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C11H13N5OS/c18-11-12-13-14-16(11)10-3-1-9(2-4-10)15-5-7-17-8-6-15/h1-4H,5-8H2,(H,12,14,18)
InChIKeyVTBRGKNKIBHVQS-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.16
Rot. Bonds2

About 1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione

1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione (PubChem CID 63180332) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione
PubChem CID63180332
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C11H13N5OS/c18-11-12-13-14-16(11)10-3-1-9(2-4-10)15-5-7-17-8-6-15/h1-4H,5-8H2,(H,12,14,18)
InChIKeyVTBRGKNKIBHVQS-UHFFFAOYSA-N
XLogP1.16
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-ylbenzenecarbothioamide
CID 2795360
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione
CID 15868799
4-[4-(2H-tetrazol-5-yl)phenyl]morpholine
CID 863212
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-(4-morpholin-4-ylphenyl)piperazine-2,6-dione
CID 63787858
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
4-(4-isocyanophenyl)morpholine
CID 2771564
4-(1,4-oxazepan-4-yl)benzenecarbothioamide
CID 62974018
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione (CID 63180332) is 1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione is S=c1nn[nH]n1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione?
The InChIKey is VTBRGKNKIBHVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c18-11-12-13-14-16(11)10-3-1-9(2-4-10)15-5-7-17-8-6-15/h1-4H,5-8H2,(H,12,14,18).
What are the key properties of 1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione?
1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione has a molecular weight of 263.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 63180332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).