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

C14H22N2S2 — CID 114269916

IUPACN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine
SMILESCCNC(c1nc2c(s1)CCC2)C1(SC)CCC1
InChIInChI=1S/C14H22N2S2/c1-3-15-12(14(17-2)8-5-9-14)13-16-10-6-4-7-11(10)18-13/h12,15H,3-9H2,1-2H3
InChIKeyWXTOJKZWKZLICR-UHFFFAOYSA-N
MW282.48 g/mol
LogP3.57
Rot. Bonds5

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

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine (PubChem CID 114269916) has the molecular formula C14H22N2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine
PubChem CID114269916
Molecular FormulaC14H22N2S2
Molecular Weight282.48 g/mol
Exact Mass282.12
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine
SMILESCCNC(c1nc2c(s1)CCC2)C1(SC)CCC1
InChIInChI=1S/C14H22N2S2/c1-3-15-12(14(17-2)8-5-9-14)13-16-10-6-4-7-11(10)18-13/h12,15H,3-9H2,1-2H3
InChIKeyWXTOJKZWKZLICR-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 62071955
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine
CID 116504467
N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115869707
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 167624671
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61347365
N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 61332383
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 61332193
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine
CID 61332546
N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 79972579
N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61347366
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

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine (CID 114269916) is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine is CCNC(c1nc2c(s1)CCC2)C1(SC)CCC1.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine?
The InChIKey is WXTOJKZWKZLICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S2/c1-3-15-12(14(17-2)8-5-9-14)13-16-10-6-4-7-11(10)18-13/h12,15H,3-9H2,1-2H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine?
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine has a molecular weight of 282.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 114269916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).