4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine

C12H15N3OS — CID 118158718

IUPAC4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine
SMILESCc1noc(-c2c(N)sc3c2C(C)(C)CC3)n1
InChIInChI=1S/C12H15N3OS/c1-6-14-11(16-15-6)8-9-7(17-10(8)13)4-5-12(9,2)3/h4-5,13H2,1-3H3
InChIKeyYODABESOOJQFQE-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.91
Rot. Bonds1

About 4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine

4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine (PubChem CID 118158718) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine
PubChem CID118158718
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine
SMILESCc1noc(-c2c(N)sc3c2C(C)(C)CC3)n1
InChIInChI=1S/C12H15N3OS/c1-6-14-11(16-15-6)8-9-7(17-10(8)13)4-5-12(9,2)3/h4-5,13H2,1-3H3
InChIKeyYODABESOOJQFQE-UHFFFAOYSA-N
XLogP2.91
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine with MolForge

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Related Compounds

2-[[4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic acid
CID 72734725
3-[2-[4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-yl]acetyl]bicyclo[2.2.2]oct-2-ene-2-carboxylic acid
CID 159892300
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65390159
4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine
CID 79840672
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine
CID 118158662
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 43145481
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813400
4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 80691354
3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 79077366
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 79614405
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-fluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 118158685
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine
CID 118198992

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine?
The IUPAC name of 4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine (CID 118158718) is 4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine.
What is the SMILES notation for 4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine?
The canonical SMILES for 4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine is Cc1noc(-c2c(N)sc3c2C(C)(C)CC3)n1.
What is the InChIKey of 4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine?
The InChIKey is YODABESOOJQFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-6-14-11(16-15-6)8-9-7(17-10(8)13)4-5-12(9,2)3/h4-5,13H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine?
4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,6-dihydrocyclopenta[b]thiophen-2-amine is sourced from PubChem (CID 118158718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).