1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine

C16H16N2S2 — CID 62700182

IUPAC1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
SMILESCNC(c1nc2c(s1)CCC2)c1csc2ccccc12
InChIInChI=1S/C16H16N2S2/c1-17-15(16-18-12-6-4-8-14(12)20-16)11-9-19-13-7-3-2-5-10(11)13/h2-3,5,7,9,15,17H,4,6,8H2,1H3
InChIKeyPYDSIVLECWPXAG-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.16
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine

1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine (PubChem CID 62700182) has the molecular formula C16H16N2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
PubChem CID62700182
Molecular FormulaC16H16N2S2
Molecular Weight300.45 g/mol
Exact Mass300.08
IUPAC Name1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
SMILESCNC(c1nc2c(s1)CCC2)c1csc2ccccc12
InChIInChI=1S/C16H16N2S2/c1-17-15(16-18-12-6-4-8-14(12)20-16)11-9-19-13-7-3-2-5-10(11)13/h2-3,5,7,9,15,17H,4,6,8H2,1H3
InChIKeyPYDSIVLECWPXAG-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 63667588
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 61331562
1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 115524807
1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 102842885
1-(3,5-difluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 106531764
1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine
CID 43485769
N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 61334255
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 61332350
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine
CID 61336158
1-(3-ethoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61332608
1-(1-benzothiophen-3-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114994005
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
CID 114937723

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine (CID 62700182) is 1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine is CNC(c1nc2c(s1)CCC2)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
The InChIKey is PYDSIVLECWPXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S2/c1-17-15(16-18-12-6-4-8-14(12)20-16)11-9-19-13-7-3-2-5-10(11)13/h2-3,5,7,9,15,17H,4,6,8H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine has a molecular weight of 300.45 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62700182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).