(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol

C14H18N2OS — CID 105131044

IUPAC(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2snnc2CC)c1
InChIInChI=1S/C14H18N2OS/c1-3-6-10-7-5-8-11(9-10)13(17)14-12(4-2)15-16-18-14/h5,7-9,13,17H,3-4,6H2,1-2H3
InChIKeyQRGOKRSIXTXHNH-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.13
Rot. Bonds5

About (4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol

(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol (PubChem CID 105131044) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
PubChem CID105131044
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2snnc2CC)c1
InChIInChI=1S/C14H18N2OS/c1-3-6-10-7-5-8-11(9-10)13(17)14-12(4-2)15-16-18-14/h5,7-9,13,17H,3-4,6H2,1-2H3
InChIKeyQRGOKRSIXTXHNH-UHFFFAOYSA-N
XLogP3.13
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethylthiadiazol-5-yl)-(3-propylphenyl)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-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 105131171
(4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol
CID 105131004
(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105117474
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol
CID 115838108
1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol
CID 105077964
(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105096391
(4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107292136
(3-methoxythiophen-2-yl)-(3-propylphenyl)methanol
CID 115838098
(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine
CID 105090458
(3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol
CID 116543803
(5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol
CID 116542757

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol (CID 105131044) is (4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol is CCCc1cccc(C(O)c2snnc2CC)c1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol?
The InChIKey is QRGOKRSIXTXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-6-10-7-5-8-11(9-10)13(17)14-12(4-2)15-16-18-14/h5,7-9,13,17H,3-4,6H2,1-2H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol?
(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol has a molecular weight of 262.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol is sourced from PubChem (CID 105131044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).