(4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol

C10H9FN2OS — CID 105094034

IUPAC(4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol
SMILESCc1cc(C(O)c2csnn2)ccc1F
InChIInChI=1S/C10H9FN2OS/c1-6-4-7(2-3-8(6)11)10(14)9-5-15-13-12-9/h2-5,10,14H,1H3
InChIKeyXPVMQSZFTRDHFQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.07
Rot. Bonds2

About (4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol

(4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol (PubChem CID 105094034) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol
PubChem CID105094034
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name(4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol
SMILESCc1cc(C(O)c2csnn2)ccc1F
InChIInChI=1S/C10H9FN2OS/c1-6-4-7(2-3-8(6)11)10(14)9-5-15-13-12-9/h2-5,10,14H,1H3
InChIKeyXPVMQSZFTRDHFQ-UHFFFAOYSA-N
XLogP2.07
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol
CID 105133310
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
(4-fluoro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099619
(3,5-dichlorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63899311
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
(3,5-dibromophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 107978317
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol
CID 114255619
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 102764444
(4-fluoro-3-methylphenyl)-(3-methyl-2-pyridinyl)methanol
CID 62789628
(4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63426051

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol?
The IUPAC name of (4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol (CID 105094034) is (4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol?
The canonical SMILES for (4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol is Cc1cc(C(O)c2csnn2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol?
The InChIKey is XPVMQSZFTRDHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-6-4-7(2-3-8(6)11)10(14)9-5-15-13-12-9/h2-5,10,14H,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol?
(4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol has a molecular weight of 224.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol is sourced from PubChem (CID 105094034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).