(4-tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol

C11H14N2OS2 — CID 105102736

IUPAC(4-tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol
SMILESCC(C)(C)c1nnsc1C(O)c1ccsc1
InChIInChI=1S/C11H14N2OS2/c1-11(2,3)10-9(16-13-12-10)8(14)7-4-5-15-6-7/h4-6,8,14H,1-3H3
InChIKeyGACQGNMOPOPWKC-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.98
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol

(4-tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol (PubChem CID 105102736) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol
PubChem CID105102736
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name(4-tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol
SMILESCC(C)(C)c1nnsc1C(O)c1ccsc1
InChIInChI=1S/C11H14N2OS2/c1-11(2,3)10-9(16-13-12-10)8(14)7-4-5-15-6-7/h4-6,8,14H,1-3H3
InChIKeyGACQGNMOPOPWKC-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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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol (CID 105102736) is (4-tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol is CC(C)(C)c1nnsc1C(O)c1ccsc1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol?
The InChIKey is GACQGNMOPOPWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-11(2,3)10-9(16-13-12-10)8(14)7-4-5-15-6-7/h4-6,8,14H,1-3H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol?
(4-tert-butylthiadiazol-5-yl)-thiophen-3-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-3-ylmethanol is sourced from PubChem (CID 105102736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).