(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol

C13H15ClN2O2S — CID 105111113

IUPAC(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H15ClN2O2S/c1-3-4-10-13(19-16-15-10)12(17)8-5-6-9(14)11(7-8)18-2/h5-7,12,17H,3-4H2,1-2H3
InChIKeyUVZDHMJXVUIXCV-UHFFFAOYSA-N
MW298.80 g/mol
LogP3.23
Rot. Bonds5

About (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol

(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol (PubChem CID 105111113) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol
PubChem CID105111113
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H15ClN2O2S/c1-3-4-10-13(19-16-15-10)12(17)8-5-6-9(14)11(7-8)18-2/h5-7,12,17H,3-4H2,1-2H3
InChIKeyUVZDHMJXVUIXCV-UHFFFAOYSA-N
XLogP3.23
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105164625
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105111085
(3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105141276
(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105096391
1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105164481
(3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105144608
(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105117474
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
(4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105130551
(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 79697124
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol (CID 105111113) is (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol is CCCc1nnsc1C(O)c1ccc(Cl)c(OC)c1.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol?
The InChIKey is UVZDHMJXVUIXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-3-4-10-13(19-16-15-10)12(17)8-5-6-9(14)11(7-8)18-2/h5-7,12,17H,3-4H2,1-2H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol?
(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol has a molecular weight of 298.80 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105111113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).