cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C12H16N4OS — CID 114173528

IUPACcis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCc1csc(Cc2noc([C@@H]3CC[C@H](N)C3)n2)n1
InChIInChI=1S/C12H16N4OS/c1-7-6-18-11(14-7)5-10-15-12(17-16-10)8-2-3-9(13)4-8/h6,8-9H,2-5,13H2,1H3/t8-,9+/m1/s1
InChIKeyOMXLRGNPNPZOGQ-BDAKNGLRSA-N
MW264.35 g/mol
LogP2.02
Rot. Bonds3

About cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 114173528) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID114173528
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Namecis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCc1csc(Cc2noc([C@@H]3CC[C@H](N)C3)n2)n1
InChIInChI=1S/C12H16N4OS/c1-7-6-18-11(14-7)5-10-15-12(17-16-10)8-2-3-9(13)4-8/h6,8-9H,2-5,13H2,1H3/t8-,9+/m1/s1
InChIKeyOMXLRGNPNPZOGQ-BDAKNGLRSA-N
XLogP2.02
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]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

3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63030798
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62795641
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66030799
cis-(1S,3R)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 106323160
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 94605740
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914913
cis-(1S,3R)-3-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323312
2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524565
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66033169
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66032392
2-methyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214248
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66030405

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 114173528) is cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is Cc1csc(Cc2noc([C@@H]3CC[C@H](N)C3)n2)n1.
What is the InChIKey of cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is OMXLRGNPNPZOGQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-6-18-11(14-7)5-10-15-12(17-16-10)8-2-3-9(13)4-8/h6,8-9H,2-5,13H2,1H3/t8-,9+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 264.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 114173528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).