2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine

C14H19N3OS — CID 43734851

IUPAC2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2NCc1csnn1
InChIInChI=1S/C14H19N3OS/c1-9-4-11-12(15-7-10-8-19-17-16-10)5-14(2,3)6-13(11)18-9/h4,8,12,15H,5-7H2,1-3H3
InChIKeyOZSREMVAWKAENN-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.24
Rot. Bonds3

About 2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine

2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine (PubChem CID 43734851) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine
PubChem CID43734851
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2NCc1csnn1
InChIInChI=1S/C14H19N3OS/c1-9-4-11-12(15-7-10-8-19-17-16-10)5-14(2,3)6-13(11)18-9/h4,8,12,15H,5-7H2,1-3H3
InChIKeyOZSREMVAWKAENN-UHFFFAOYSA-N
XLogP3.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105185786
N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105185839
N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105186448
N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105186503
N-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43664089
1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43722037
2,6,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine
CID 43734843
2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine
CID 43734852
2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine
CID 61169660
1-(2,5-dimethylfuran-3-yl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 61850568
1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105184747
N-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine
CID 105184776

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine?
The IUPAC name of 2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine (CID 43734851) is 2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine?
The canonical SMILES for 2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine is Cc1cc2c(o1)CC(C)(C)CC2NCc1csnn1.
What is the InChIKey of 2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine?
The InChIKey is OZSREMVAWKAENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-4-11-12(15-7-10-8-19-17-16-10)5-14(2,3)6-13(11)18-9/h4,8,12,15H,5-7H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine?
2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine has a molecular weight of 277.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine is sourced from PubChem (CID 43734851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).