(4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone

C11H11BrN2OS2 — CID 105115982

IUPAC(4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone
SMILESCC(C)(C)c1nnsc1C(=O)c1cscc1Br
InChIInChI=1S/C11H11BrN2OS2/c1-11(2,3)10-9(17-14-13-10)8(15)6-4-16-5-7(6)12/h4-5H,1-3H3
InChIKeyNLZVXUAWPOKZEU-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.89
Rot. Bonds2

About (4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone

(4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone (PubChem CID 105115982) has the molecular formula C11H11BrN2OS2 and a molecular weight of 331.26 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone
PubChem CID105115982
Molecular FormulaC11H11BrN2OS2
Molecular Weight331.26 g/mol
Exact Mass329.95
IUPAC Name(4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone
SMILESCC(C)(C)c1nnsc1C(=O)c1cscc1Br
InChIInChI=1S/C11H11BrN2OS2/c1-11(2,3)10-9(17-14-13-10)8(15)6-4-16-5-7(6)12/h4-5H,1-3H3
InChIKeyNLZVXUAWPOKZEU-UHFFFAOYSA-N
XLogP3.89
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone (CID 105115982) is (4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone is CC(C)(C)c1nnsc1C(=O)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone?
The InChIKey is NLZVXUAWPOKZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS2/c1-11(2,3)10-9(17-14-13-10)8(15)6-4-16-5-7(6)12/h4-5H,1-3H3.
What are the key properties of (4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone?
(4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone has a molecular weight of 331.26 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105115982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).