1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol

C14H19ClN4O2S — CID 17482802

IUPAC1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol
SMILESCC(C)(C)n1nnnc1SCC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN4O2S/c1-14(2,3)19-13(16-17-18-19)22-9-11(20)8-21-12-6-4-10(15)5-7-12/h4-7,11,20H,8-9H2,1-3H3
InChIKeyQIIKQIQYKLMLNR-UHFFFAOYSA-N
MW342.85 g/mol
LogP2.61
Rot. Bonds6

About 1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol

1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol (PubChem CID 17482802) has the molecular formula C14H19ClN4O2S and a molecular weight of 342.85 g/mol. Its IUPAC name is 1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol
PubChem CID17482802
Molecular FormulaC14H19ClN4O2S
Molecular Weight342.85 g/mol
Exact Mass342.09
IUPAC Name1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol
SMILESCC(C)(C)n1nnnc1SCC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN4O2S/c1-14(2,3)19-13(16-17-18-19)22-9-11(20)8-21-12-6-4-10(15)5-7-12/h4-7,11,20H,8-9H2,1-3H3
InChIKeyQIIKQIQYKLMLNR-UHFFFAOYSA-N
XLogP2.61
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol 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

(2S)-1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol
CID 26011750
1-(4-chlorophenoxy)-3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 24579752
1-(4-chlorophenoxy)-3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 75858586
(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 35672224
1-(4-chlorophenoxy)-3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
CID 24573877
1-(4-chlorophenoxy)-3-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
CID 24573828
(2S)-1-(4-tert-butylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 94181183
1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-3-(4-ethoxyphenoxy)propan-2-ol
CID 17475751
1-butylsulfanyl-3-(4-chlorophenoxy)propan-2-ol
CID 11346386
1-(4-tert-butylphenoxy)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 110879440
4-[2-hydroxy-3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropoxy]benzonitrile
CID 46690753
ethyl 4-[3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-hydroxypropoxy]benzoate
CID 24579753

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol?
The IUPAC name of 1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol (CID 17482802) is 1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol is CC(C)(C)n1nnnc1SCC(O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol?
The InChIKey is QIIKQIQYKLMLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2S/c1-14(2,3)19-13(16-17-18-19)22-9-11(20)8-21-12-6-4-10(15)5-7-12/h4-7,11,20H,8-9H2,1-3H3.
What are the key properties of 1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol?
1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol has a molecular weight of 342.85 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 17482802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).