N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine

C15H20N2S2 — CID 105030632

IUPACN-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1cc2c(s1)CCCCC2
InChIInChI=1S/C15H20N2S2/c1-16-13(8-12-9-17-10-18-12)15-7-11-5-3-2-4-6-14(11)19-15/h7,9-10,13,16H,2-6,8H2,1H3
InChIKeyIPWKLFVZMWIAGC-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.98
Rot. Bonds4

About N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine

N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 105030632) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID105030632
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC NameN-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1cc2c(s1)CCCCC2
InChIInChI=1S/C15H20N2S2/c1-16-13(8-12-9-17-10-18-12)15-7-11-5-3-2-4-6-14(11)19-15/h7,9-10,13,16H,2-6,8H2,1H3
InChIKeyIPWKLFVZMWIAGC-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030264
2-(furan-3-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 105030057
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864830
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014840
N-methyl-2-(5-methyl-2-pyridinyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 66447123
N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine
CID 115833589
2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 115849173
2-cyclopropyl-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 104986496
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 105014417
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)decan-1-amine
CID 115831741
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)-N-methylnonan-1-amine
CID 115835124

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine (CID 105030632) is N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine is CNC(Cc1cncs1)c1cc2c(s1)CCCCC2.
What is the InChIKey of N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is IPWKLFVZMWIAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-16-13(8-12-9-17-10-18-12)15-7-11-5-3-2-4-6-14(11)19-15/h7,9-10,13,16H,2-6,8H2,1H3.
What are the key properties of N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 292.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105030632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).