(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol

C11H12FN3OS — CID 105080455

IUPAC(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1cncc(F)c1
InChIInChI=1S/C11H12FN3OS/c1-2-3-9-11(17-15-14-9)10(16)7-4-8(12)6-13-5-7/h4-6,10,16H,2-3H2,1H3
InChIKeyGVMJBUDPXNPNEK-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.11
Rot. Bonds4

About (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol

(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol (PubChem CID 105080455) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol
PubChem CID105080455
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1cncc(F)c1
InChIInChI=1S/C11H12FN3OS/c1-2-3-9-11(17-15-14-9)10(16)7-4-8(12)6-13-5-7/h4-6,10,16H,2-3H2,1H3
InChIKeyGVMJBUDPXNPNEK-UHFFFAOYSA-N
XLogP2.11
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105102650
(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105096391
(1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105081847
isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol
CID 105097636
(4-propylthiadiazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097071
(5-fluoro-3-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 63894490
(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105111113
(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105117474
(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105131314
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 103407834
N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105170013

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol?
The IUPAC name of (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol (CID 105080455) is (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol is CCCc1nnsc1C(O)c1cncc(F)c1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol?
The InChIKey is GVMJBUDPXNPNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-2-3-9-11(17-15-14-9)10(16)7-4-8(12)6-13-5-7/h4-6,10,16H,2-3H2,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol?
(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol has a molecular weight of 253.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105080455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).