(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol

C10H12N2OS2 — CID 105079979

IUPAC(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol
SMILESCCCc1nnsc1C(O)c1cccs1
InChIInChI=1S/C10H12N2OS2/c1-2-4-7-10(15-12-11-7)9(13)8-5-3-6-14-8/h3,5-6,9,13H,2,4H2,1H3
InChIKeyNHPQUMCEOWAIST-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.63
Rot. Bonds4

About (4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol

(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol (PubChem CID 105079979) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol
PubChem CID105079979
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol
SMILESCCCc1nnsc1C(O)c1cccs1
InChIInChI=1S/C10H12N2OS2/c1-2-4-7-10(15-12-11-7)9(13)8-5-3-6-14-8/h3,5-6,9,13H,2,4H2,1H3
InChIKeyNHPQUMCEOWAIST-UHFFFAOYSA-N
XLogP2.63
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-(4-propylthiadiazol-5-yl)methanol
CID 105097375
(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105096391
(4-propylthiadiazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097071
(2-ethylpyrazol-3-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105098198
(1-ethylimidazol-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 65207463
isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol
CID 105097636
(3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105099534
(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105117474
cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol
CID 106657927
2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol
CID 105114699
(1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105081847
(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
CID 105131044

Frequently Asked Questions

What is the IUPAC name of (4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol?
The IUPAC name of (4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol (CID 105079979) is (4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol is CCCc1nnsc1C(O)c1cccs1.
What is the InChIKey of (4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol?
The InChIKey is NHPQUMCEOWAIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-2-4-7-10(15-12-11-7)9(13)8-5-3-6-14-8/h3,5-6,9,13H,2,4H2,1H3.
What are the key properties of (4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol?
(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol has a molecular weight of 240.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 105079979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).