cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine

C12H20N2S2 — CID 124681049

IUPACcis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
SMILESCCS[C@H]1CCC[C@H]1NCc1nc(C)cs1
InChIInChI=1S/C12H20N2S2/c1-3-15-11-6-4-5-10(11)13-7-12-14-9(2)8-16-12/h8,10-11,13H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKeyUKNJYLILQHCCMR-MNOVXSKESA-N
MW256.44 g/mol
LogP3.22
Rot. Bonds5

About cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine

cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine (PubChem CID 124681049) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
PubChem CID124681049
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Namecis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
SMILESCCS[C@H]1CCC[C@H]1NCc1nc(C)cs1
InChIInChI=1S/C12H20N2S2/c1-3-15-11-6-4-5-10(11)13-7-12-14-9(2)8-16-12/h8,10-11,13H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKeyUKNJYLILQHCCMR-MNOVXSKESA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclohexane-1-carbonitrile
CID 62742062
N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 61309763
5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
CID 114121508
N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121479
cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 99790713
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601527
4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine
CID 130727351
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 129005578
2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 103701163
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 79836256
N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121381
N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103725083

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine (CID 124681049) is cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine is CCS[C@H]1CCC[C@H]1NCc1nc(C)cs1.
What is the InChIKey of cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is UKNJYLILQHCCMR-MNOVXSKESA-N. The full InChI is InChI=1S/C12H20N2S2/c1-3-15-11-6-4-5-10(11)13-7-12-14-9(2)8-16-12/h8,10-11,13H,3-7H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine?
cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 256.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 124681049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).