1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine

C14H24N2S — CID 62071433

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine
SMILESCNC(c1nc(C(C)(C)C)cs1)C1CCCC1
InChIInChI=1S/C14H24N2S/c1-14(2,3)11-9-17-13(16-11)12(15-4)10-7-5-6-8-10/h9-10,12,15H,5-8H2,1-4H3
InChIKeyUFVHXIFSRRAKES-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.89
Rot. Bonds3

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine

1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine (PubChem CID 62071433) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine
PubChem CID62071433
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine
SMILESCNC(c1nc(C(C)(C)C)cs1)C1CCCC1
InChIInChI=1S/C14H24N2S/c1-14(2,3)11-9-17-13(16-11)12(15-4)10-7-5-6-8-10/h9-10,12,15H,5-8H2,1-4H3
InChIKeyUFVHXIFSRRAKES-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine (CID 62071433) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine is CNC(c1nc(C(C)(C)C)cs1)C1CCCC1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine?
The InChIKey is UFVHXIFSRRAKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(2,3)11-9-17-13(16-11)12(15-4)10-7-5-6-8-10/h9-10,12,15H,5-8H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine is sourced from PubChem (CID 62071433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).