(4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol

C10H12N2OS2 — CID 105102715

IUPAC(4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol
SMILESCC(C)c1nnsc1C(O)c1ccsc1
InChIInChI=1S/C10H12N2OS2/c1-6(2)8-10(15-12-11-8)9(13)7-3-4-14-5-7/h3-6,9,13H,1-2H3
InChIKeyWQCWBLITVAWWDY-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.80
Rot. Bonds3

About (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol

(4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol (PubChem CID 105102715) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol
PubChem CID105102715
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name(4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol
SMILESCC(C)c1nnsc1C(O)c1ccsc1
InChIInChI=1S/C10H12N2OS2/c1-6(2)8-10(15-12-11-8)9(13)7-3-4-14-5-7/h3-6,9,13H,1-2H3
InChIKeyWQCWBLITVAWWDY-UHFFFAOYSA-N
XLogP2.80
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Methylthiophen-3-yl)-(thiadiazol-4-yl)methanol
CID 102842253
(2-Methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 102842379
(4-Ethylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842425
(2-Methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanol
CID 102842516
(4-Methylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842557
(4-Methylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079900
(4-Propan-2-ylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079956
(4-Ethylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079958
(4-Tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079978
(4-Propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
2-(1-Benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105083301
2-(1-Benzothiophen-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105083304

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol?
The IUPAC name of (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol (CID 105102715) is (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol is CC(C)c1nnsc1C(O)c1ccsc1.
What is the InChIKey of (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol?
The InChIKey is WQCWBLITVAWWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-6(2)8-10(15-12-11-8)9(13)7-3-4-14-5-7/h3-6,9,13H,1-2H3.
What are the key properties of (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol?
(4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol has a molecular weight of 240.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol is sourced from PubChem (CID 105102715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).