(2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

C16H18N4O2S — CID 32532141

IUPAC(2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1ccc(-c2nnn(C[C@H](O)COCc3cccs3)n2)cc1
InChIInChI=1S/C16H18N4O2S/c1-12-4-6-13(7-5-12)16-17-19-20(18-16)9-14(21)10-22-11-15-3-2-8-23-15/h2-8,14,21H,9-11H2,1H3/t14-/m0/s1
InChIKeySUCLFMJUSDMGQV-AWEZNQCLSA-N
MW330.41 g/mol
LogP2.29
Rot. Bonds7

About (2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

(2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 32532141) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is (2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID32532141
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1ccc(-c2nnn(C[C@H](O)COCc3cccs3)n2)cc1
InChIInChI=1S/C16H18N4O2S/c1-12-4-6-13(7-5-12)16-17-19-20(18-16)9-14(21)10-22-11-15-3-2-8-23-15/h2-8,14,21H,9-11H2,1H3/t14-/m0/s1
InChIKeySUCLFMJUSDMGQV-AWEZNQCLSA-N
XLogP2.29
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol
CID 32556840
4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 30749496
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75432639
(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
CID 32768070
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75432701
(2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 97243258
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 95327138
4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 24654123
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 32532141) is (2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is Cc1ccc(-c2nnn(C[C@H](O)COCc3cccs3)n2)cc1.
What is the InChIKey of (2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is SUCLFMJUSDMGQV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-12-4-6-13(7-5-12)16-17-19-20(18-16)9-14(21)10-22-11-15-3-2-8-23-15/h2-8,14,21H,9-11H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
(2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 330.41 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 32532141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).