(4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine

C15H16ClN3OS — CID 105185628

IUPAC(4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine
SMILESCC(C)(C)c1nnsc1C(N)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H16ClN3OS/c1-15(2,3)14-13(21-19-18-14)12(17)11-7-8-6-9(16)4-5-10(8)20-11/h4-7,12H,17H2,1-3H3
InChIKeyXDHSBDITDJDHBU-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.28
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine

(4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine (PubChem CID 105185628) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine
PubChem CID105185628
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine
SMILESCC(C)(C)c1nnsc1C(N)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H16ClN3OS/c1-15(2,3)14-13(21-19-18-14)12(17)11-7-8-6-9(16)4-5-10(8)20-11/h4-7,12H,17H2,1-3H3
InChIKeyXDHSBDITDJDHBU-UHFFFAOYSA-N
XLogP4.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.28
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)-(5-chloro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine (CID 105185628) is (4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine is CC(C)(C)c1nnsc1C(N)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine?
The InChIKey is XDHSBDITDJDHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-15(2,3)14-13(21-19-18-14)12(17)11-7-8-6-9(16)4-5-10(8)20-11/h4-7,12H,17H2,1-3H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine?
(4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine has a molecular weight of 321.83 g/mol, XLogP of 4.28, 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)-(5-chloro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105185628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).