1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine

C13H16N2S2 — CID 105030264

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1cc2c(s1)CCC2
InChIInChI=1S/C13H16N2S2/c1-14-11(6-10-7-15-8-16-10)13-5-9-3-2-4-12(9)17-13/h5,7-8,11,14H,2-4,6H2,1H3
InChIKeyLYZKPIHMGWJZGR-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.20
Rot. Bonds4

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 105030264) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID105030264
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1cc2c(s1)CCC2
InChIInChI=1S/C13H16N2S2/c1-14-11(6-10-7-15-8-16-10)13-5-9-3-2-4-12(9)17-13/h5,7-8,11,14H,2-4,6H2,1H3
InChIKeyLYZKPIHMGWJZGR-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030632
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014840
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864830
2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine
CID 115848748
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 105014417
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylnonan-1-amine
CID 115835124
N-methyl-2-(5-methyl-2-pyridinyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 66447123
2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 115849173
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 105003770
2-(furan-3-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 105030057
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)decan-1-amine
CID 115831741
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030725

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (CID 105030264) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is CNC(Cc1cncs1)c1cc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is LYZKPIHMGWJZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-14-11(6-10-7-15-8-16-10)13-5-9-3-2-4-12(9)17-13/h5,7-8,11,14H,2-4,6H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 264.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105030264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).