(4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine

C16H19N3OS — CID 105185484

IUPAC(4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cccc2cc(C(N)c3snnc3C(C)(C)C)oc12
InChIInChI=1S/C16H19N3OS/c1-9-6-5-7-10-8-11(20-13(9)10)12(17)14-15(16(2,3)4)18-19-21-14/h5-8,12H,17H2,1-4H3
InChIKeyBHVIBQJBLBUYIC-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.94
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine

(4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 105185484) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID105185484
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cccc2cc(C(N)c3snnc3C(C)(C)C)oc12
InChIInChI=1S/C16H19N3OS/c1-9-6-5-7-10-8-11(20-13(9)10)12(17)14-15(16(2,3)4)18-19-21-14/h5-8,12H,17H2,1-4H3
InChIKeyBHVIBQJBLBUYIC-UHFFFAOYSA-N
XLogP3.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine
CID 105185628
(3-chlorothiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045612
(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185520
(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105185597
(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine
CID 106755901
N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105185529
(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 106693197
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185488
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105045627
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185601

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine (CID 105185484) is (4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine is Cc1cccc2cc(C(N)c3snnc3C(C)(C)C)oc12.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is BHVIBQJBLBUYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-9-6-5-7-10-8-11(20-13(9)10)12(17)14-15(16(2,3)4)18-19-21-14/h5-8,12H,17H2,1-4H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine?
(4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 301.42 g/mol, XLogP of 3.94, 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)-(7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105185484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).