(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol

C15H20N2O2S — CID 105117474

IUPAC(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H20N2O2S/c1-4-6-13-15(20-17-16-13)14(18)11-7-5-8-12(9-11)19-10(2)3/h5,7-10,14,18H,4,6H2,1-3H3
InChIKeyLLAMLCZADUHXOG-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.36
Rot. Bonds6

About (3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol

(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol (PubChem CID 105117474) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol
PubChem CID105117474
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H20N2O2S/c1-4-6-13-15(20-17-16-13)14(18)11-7-5-8-12(9-11)19-10(2)3/h5,7-10,14,18H,4,6H2,1-3H3
InChIKeyLLAMLCZADUHXOG-UHFFFAOYSA-N
XLogP3.36
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine
CID 105171286
(3-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 62919489
(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
CID 105131044
(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105096391
(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105111113
(4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol
CID 114102793
(4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 105131171
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
(3-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanol
CID 115824055
(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
3-(ethylamino)-3-(3-propan-2-yloxyphenyl)propanamide
CID 65233677

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol?
The IUPAC name of (3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol (CID 105117474) is (3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol.
What is the SMILES notation for (3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol?
The canonical SMILES for (3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol is CCCc1nnsc1C(O)c1cccc(OC(C)C)c1.
What is the InChIKey of (3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol?
The InChIKey is LLAMLCZADUHXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-4-6-13-15(20-17-16-13)14(18)11-7-5-8-12(9-11)19-10(2)3/h5,7-10,14,18H,4,6H2,1-3H3.
What are the key properties of (3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol?
(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol has a molecular weight of 292.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105117474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).