(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol

C12H12F2N2OS — CID 105096391

IUPAC(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N2OS/c1-2-3-10-12(18-16-15-10)11(17)7-4-5-8(13)9(14)6-7/h4-6,11,17H,2-3H2,1H3
InChIKeyPCONSGHJRLCPLN-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.85
Rot. Bonds4

About (3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol

(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol (PubChem CID 105096391) has the molecular formula C12H12F2N2OS and a molecular weight of 270.30 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
PubChem CID105096391
Molecular FormulaC12H12F2N2OS
Molecular Weight270.30 g/mol
Exact Mass270.06
IUPAC Name(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N2OS/c1-2-3-10-12(18-16-15-10)11(17)7-4-5-8(13)9(14)6-7/h4-6,11,17H,2-3H2,1H3
InChIKeyPCONSGHJRLCPLN-UHFFFAOYSA-N
XLogP2.85
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-propylthiadiazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097071
(4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107292136
(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol
CID 105080455
(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105111113
(3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105144608
(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105117474
(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
CID 105131044
N-[(4-fluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105143012
furan-2-yl-(4-propylthiadiazol-5-yl)methanol
CID 105097375
N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105143839
2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105131314

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol?
The IUPAC name of (3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol (CID 105096391) is (3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol.
What is the SMILES notation for (3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol?
The canonical SMILES for (3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol is CCCc1nnsc1C(O)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol?
The InChIKey is PCONSGHJRLCPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2OS/c1-2-3-10-12(18-16-15-10)11(17)7-4-5-8(13)9(14)6-7/h4-6,11,17H,2-3H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol?
(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol has a molecular weight of 270.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105096391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).