(4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol

C11H14N2OS2 — CID 105079978

IUPAC(4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol
SMILESCC(C)(C)c1nnsc1C(O)c1cccs1
InChIInChI=1S/C11H14N2OS2/c1-11(2,3)10-9(16-13-12-10)8(14)7-5-4-6-15-7/h4-6,8,14H,1-3H3
InChIKeyJYCSDFXECGKWFU-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.98
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol

(4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol (PubChem CID 105079978) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol
PubChem CID105079978
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name(4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol
SMILESCC(C)(C)c1nnsc1C(O)c1cccs1
InChIInChI=1S/C11H14N2OS2/c1-11(2,3)10-9(16-13-12-10)8(14)7-5-4-6-15-7/h4-6,8,14H,1-3H3
InChIKeyJYCSDFXECGKWFU-UHFFFAOYSA-N
XLogP2.98
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.98
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-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
2-(1-Benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 105083332

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol (CID 105079978) is (4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol is CC(C)(C)c1nnsc1C(O)c1cccs1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol?
The InChIKey is JYCSDFXECGKWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-11(2,3)10-9(16-13-12-10)8(14)7-5-4-6-15-7/h4-6,8,14H,1-3H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol?
(4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol has a molecular weight of 254.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 105079978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).