cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine

C28H32N4S2 — CID 160876170

IUPACcis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](c2nc(-c3ccccc3)cs2)C1.N[C@H]1CC[C@H](c2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/2C14H16N2S/c2*15-12-7-6-11(8-12)14-16-13(9-17-14)10-4-2-1-3-5-10/h2*1-5,9,11-12H,6-8,15H2/t11-,12+;11-,12-/m10/s1
InChIKeySMKNTVNKHNLJRK-LSLZMFIXSA-N
MW488.73 g/mol
LogP6.81
Rot. Bonds4

About cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine

cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine (PubChem CID 160876170) has the molecular formula C28H32N4S2 and a molecular weight of 488.73 g/mol. Its IUPAC name is cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine
PubChem CID160876170
Molecular FormulaC28H32N4S2
Molecular Weight488.73 g/mol
Exact Mass488.21
IUPAC Namecis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](c2nc(-c3ccccc3)cs2)C1.N[C@H]1CC[C@H](c2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/2C14H16N2S/c2*15-12-7-6-11(8-12)14-16-13(9-17-14)10-4-2-1-3-5-10/h2*1-5,9,11-12H,6-8,15H2/t11-,12+;11-,12-/m10/s1
InChIKeySMKNTVNKHNLJRK-LSLZMFIXSA-N
XLogP6.81
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.73
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine with MolForge

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Related Compounds

4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 116965519
hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride
CID 71677758
2-(oxolan-3-yl)-4-phenyl-1,3-thiazole
CID 112699838
3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 116965515
3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine
CID 116888902
2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
CID 116965816
N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 35619010
4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole
CID 59252377
3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 116965488
4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile
CID 65404104
3-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
CID 114353284

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine (CID 160876170) is cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine is N[C@H]1CC[C@@H](c2nc(-c3ccccc3)cs2)C1.N[C@H]1CC[C@H](c2nc(-c3ccccc3)cs2)C1.
What is the InChIKey of cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The InChIKey is SMKNTVNKHNLJRK-LSLZMFIXSA-N. The full InChI is InChI=1S/2C14H16N2S/c2*15-12-7-6-11(8-12)14-16-13(9-17-14)10-4-2-1-3-5-10/h2*1-5,9,11-12H,6-8,15H2/t11-,12+;11-,12-/m10/s1.
What are the key properties of cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine has a molecular weight of 488.73 g/mol, XLogP of 6.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 160876170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).