(4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol

C13H15ClN2O2S — CID 105111085

IUPAC(4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCOc1cc(C(O)c2snnc2C(C)C)ccc1Cl
InChIInChI=1S/C13H15ClN2O2S/c1-7(2)11-13(19-16-15-11)12(17)8-4-5-9(14)10(6-8)18-3/h4-7,12,17H,1-3H3
InChIKeyWNDRQZPBPHUREQ-UHFFFAOYSA-N
MW298.80 g/mol
LogP3.41
Rot. Bonds4

About (4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol

(4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 105111085) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID105111085
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name(4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCOc1cc(C(O)c2snnc2C(C)C)ccc1Cl
InChIInChI=1S/C13H15ClN2O2S/c1-7(2)11-13(19-16-15-11)12(17)8-4-5-9(14)10(6-8)18-3/h4-7,12,17H,1-3H3
InChIKeyWNDRQZPBPHUREQ-UHFFFAOYSA-N
XLogP3.41
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105111113
(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105114504
2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105092350
(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105164625
(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105120967
(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 79697124
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105164481
(3,4-dichlorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 61081399
1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
CID 79699856

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 105111085) is (4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol is COc1cc(C(O)c2snnc2C(C)C)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is WNDRQZPBPHUREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-7(2)11-13(19-16-15-11)12(17)8-4-5-9(14)10(6-8)18-3/h4-7,12,17H,1-3H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 298.80 g/mol, XLogP of 3.41, 4 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-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105111085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).