4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine

C16H22FN5S — CID 3193511

IUPAC4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine
SMILESCC(C)(C)n1nnnc1C(c1ccc(F)cc1)N1CCSCC1
InChIInChI=1S/C16H22FN5S/c1-16(2,3)22-15(18-19-20-22)14(21-8-10-23-11-9-21)12-4-6-13(17)7-5-12/h4-7,14H,8-11H2,1-3H3
InChIKeyLKVHQOXOCIWJSG-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.71
Rot. Bonds3

About 4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine

4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine (PubChem CID 3193511) has the molecular formula C16H22FN5S and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine
PubChem CID3193511
Molecular FormulaC16H22FN5S
Molecular Weight335.45 g/mol
Exact Mass335.16
IUPAC Name4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine
SMILESCC(C)(C)n1nnnc1C(c1ccc(F)cc1)N1CCSCC1
InChIInChI=1S/C16H22FN5S/c1-16(2,3)22-15(18-19-20-22)14(21-8-10-23-11-9-21)12-4-6-13(17)7-5-12/h4-7,14H,8-11H2,1-3H3
InChIKeyLKVHQOXOCIWJSG-UHFFFAOYSA-N
XLogP2.71
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208909
4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
CID 3208928
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443850
1-[(1-tert-butyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 3208953
[4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 23800707
1-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine
CID 3201741
1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol
CID 1432259
1-[(R)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443802
1-[(1-tert-butyltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 3208992
1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride
CID 6603424
4-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]thiomorpholine
CID 1437297
4-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]thiomorpholine
CID 1437299

Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine (CID 3193511) is 4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine is CC(C)(C)n1nnnc1C(c1ccc(F)cc1)N1CCSCC1.
What is the InChIKey of 4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine?
The InChIKey is LKVHQOXOCIWJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5S/c1-16(2,3)22-15(18-19-20-22)14(21-8-10-23-11-9-21)12-4-6-13(17)7-5-12/h4-7,14H,8-11H2,1-3H3.
What are the key properties of 4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine?
4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine has a molecular weight of 335.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine is sourced from PubChem (CID 3193511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).