4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine

C12H15N5S — CID 11425485

IUPAC4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine
SMILESc1ccc(-c2nnnn2CN2CCSCC2)cc1
InChIInChI=1S/C12H15N5S/c1-2-4-11(5-3-1)12-13-14-15-17(12)10-16-6-8-18-9-7-16/h1-5H,6-10H2
InChIKeyACWJLWHMPUTUCP-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.35
Rot. Bonds3

About 4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine

4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine (PubChem CID 11425485) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine
PubChem CID11425485
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine
SMILESc1ccc(-c2nnnn2CN2CCSCC2)cc1
InChIInChI=1S/C12H15N5S/c1-2-4-11(5-3-1)12-13-14-15-17(12)10-16-6-8-18-9-7-16/h1-5H,6-10H2
InChIKeyACWJLWHMPUTUCP-UHFFFAOYSA-N
XLogP1.35
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(2-morpholin-4-ylethylamino)-3-(5-phenyltetrazol-1-yl)propan-2-ol
CID 92764782
N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419682
[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
CID 82228443
4-[(5-phenyltetrazol-1-yl)methyl]oxane-4-carboxylic acid
CID 115440727
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419754
N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419811
3-(5-phenyltetrazol-1-yl)hexanal
CID 134999980
4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine
CID 173316266
N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419704
2-[5-(5-phenylthiophen-2-yl)tetrazol-1-yl]acetic acid
CID 19427378
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 9421444
2-(morpholin-4-ylmethyl)-4,5-diphenyl-1,2,4-triazole-3-thione
CID 980223

Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine?
The IUPAC name of 4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine (CID 11425485) is 4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine?
The canonical SMILES for 4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine is c1ccc(-c2nnnn2CN2CCSCC2)cc1.
What is the InChIKey of 4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine?
The InChIKey is ACWJLWHMPUTUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-2-4-11(5-3-1)12-13-14-15-17(12)10-16-6-8-18-9-7-16/h1-5H,6-10H2.
What are the key properties of 4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine?
4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine has a molecular weight of 261.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyltetrazol-1-yl)methyl]thiomorpholine is sourced from PubChem (CID 11425485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).