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

C18H24N2S — CID 61332193

IUPACN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1nc2c(s1)CCC2)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H24N2S/c1-5-19-17(16-12(3)9-11(2)10-13(16)4)18-20-14-7-6-8-15(14)21-18/h9-10,17,19H,5-8H2,1-4H3
InChIKeyZIUJJFZDATZQOX-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.26
Rot. Bonds4

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

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 61332193) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID61332193
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1nc2c(s1)CCC2)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H24N2S/c1-5-19-17(16-12(3)9-11(2)10-13(16)4)18-20-14-7-6-8-15(14)21-18/h9-10,17,19H,5-8H2,1-4H3
InChIKeyZIUJJFZDATZQOX-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61347365
N-[(4-fluoro-3-methylphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 62122591
N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61347366
N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 61332383
4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl-(2,4,6-trimethylphenyl)methanamine
CID 61330106
N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61331219
N-[(4-bromophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61331218
N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 79972579
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine
CID 61336158
N-[(3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 65027030
N-[(3-bromo-4-fluorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61331208
N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 62071955

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine (CID 61332193) is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine is CCNC(c1nc2c(s1)CCC2)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is ZIUJJFZDATZQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-5-19-17(16-12(3)9-11(2)10-13(16)4)18-20-14-7-6-8-15(14)21-18/h9-10,17,19H,5-8H2,1-4H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine?
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 300.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 61332193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).