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

C13H22N2S — CID 124624188

IUPACcis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine
SMILESC[C@@H]1CC(C)(C)C[C@@H]1NCCc1cscn1
InChIInChI=1S/C13H22N2S/c1-10-6-13(2,3)7-12(10)14-5-4-11-8-16-9-15-11/h8-10,12,14H,4-7H2,1-3H3/t10-,12+/m1/s1
InChIKeyZCANNTWZCNKBDG-PWSUYJOCSA-N
MW238.40 g/mol
LogP3.10
Rot. Bonds4

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

cis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine (PubChem CID 124624188) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is cis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine
PubChem CID124624188
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Namecis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine
SMILESC[C@@H]1CC(C)(C)C[C@@H]1NCCc1cscn1
InChIInChI=1S/C13H22N2S/c1-10-6-13(2,3)7-12(10)14-5-4-11-8-16-9-15-11/h8-10,12,14H,4-7H2,1-3H3/t10-,12+/m1/s1
InChIKeyZCANNTWZCNKBDG-PWSUYJOCSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine (CID 124624188) is cis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine is C[C@@H]1CC(C)(C)C[C@@H]1NCCc1cscn1.
What is the InChIKey of cis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine?
The InChIKey is ZCANNTWZCNKBDG-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-6-13(2,3)7-12(10)14-5-4-11-8-16-9-15-11/h8-10,12,14H,4-7H2,1-3H3/t10-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine?
cis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2,4,4-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 124624188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).