3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine

C15H26N2S2 — CID 79950253

IUPAC3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine
SMILESCCCNC1(c2nc(C(C)(C)C)cs2)CSC(C)C1
InChIInChI=1S/C15H26N2S2/c1-6-7-16-15(8-11(2)19-10-15)13-17-12(9-18-13)14(3,4)5/h9,11,16H,6-8,10H2,1-5H3
InChIKeyOCFJVNJHWNMGAF-UHFFFAOYSA-N
MW298.52 g/mol
LogP4.16
Rot. Bonds4

About 3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine

3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine (PubChem CID 79950253) has the molecular formula C15H26N2S2 and a molecular weight of 298.52 g/mol. Its IUPAC name is 3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine.

Molecular Properties

Compound Name3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine
PubChem CID79950253
Molecular FormulaC15H26N2S2
Molecular Weight298.52 g/mol
Exact Mass298.15
IUPAC Name3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine
SMILESCCCNC1(c2nc(C(C)(C)C)cs2)CSC(C)C1
InChIInChI=1S/C15H26N2S2/c1-6-7-16-15(8-11(2)19-10-15)13-17-12(9-18-13)14(3,4)5/h9,11,16H,6-8,10H2,1-5H3
InChIKeyOCFJVNJHWNMGAF-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine?
The IUPAC name of 3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine (CID 79950253) is 3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine.
What is the SMILES notation for 3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine?
The canonical SMILES for 3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine is CCCNC1(c2nc(C(C)(C)C)cs2)CSC(C)C1.
What is the InChIKey of 3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine?
The InChIKey is OCFJVNJHWNMGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S2/c1-6-7-16-15(8-11(2)19-10-15)13-17-12(9-18-13)14(3,4)5/h9,11,16H,6-8,10H2,1-5H3.
What are the key properties of 3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine?
3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine has a molecular weight of 298.52 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine is sourced from PubChem (CID 79950253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).