isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol

C15H15N3OS — CID 105097636

IUPACisoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1cncc2ccccc12
InChIInChI=1S/C15H15N3OS/c1-2-5-13-15(20-18-17-13)14(19)12-9-16-8-10-6-3-4-7-11(10)12/h3-4,6-9,14,19H,2,5H2,1H3
InChIKeyXQZGCDQCUILOPR-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.12
Rot. Bonds4

About isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol

isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol (PubChem CID 105097636) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol
PubChem CID105097636
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Nameisoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1cncc2ccccc12
InChIInChI=1S/C15H15N3OS/c1-2-5-13-15(20-18-17-13)14(19)12-9-16-8-10-6-3-4-7-11(10)12/h3-4,6-9,14,19H,2,5H2,1H3
InChIKeyXQZGCDQCUILOPR-UHFFFAOYSA-N
XLogP3.12
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine
CID 105147328
N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105141285
(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol
CID 105080455
1-isoquinolin-4-ylpentan-1-ol
CID 63938213
isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol
CID 104504645
(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
(4-propylthiadiazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097071
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
isoquinolin-4-yl(pyrimidin-5-yl)methanol
CID 104504669
1-isoquinolin-4-yl-2-propoxyethanol
CID 63938415
(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol
CID 105097633
2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol
CID 104504624

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol?
The IUPAC name of isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol (CID 105097636) is isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol.
What is the SMILES notation for isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol?
The canonical SMILES for isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol is CCCc1nnsc1C(O)c1cncc2ccccc12.
What is the InChIKey of isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol?
The InChIKey is XQZGCDQCUILOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-5-13-15(20-18-17-13)14(19)12-9-16-8-10-6-3-4-7-11(10)12/h3-4,6-9,14,19H,2,5H2,1H3.
What are the key properties of isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol?
isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol has a molecular weight of 285.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105097636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).