N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine

C12H20N2S2 — CID 61332756

IUPACN-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine
SMILESCCNC1(c2nc(CC)c(C)s2)CCSC1
InChIInChI=1S/C12H20N2S2/c1-4-10-9(3)16-11(14-10)12(13-5-2)6-7-15-8-12/h13H,4-8H2,1-3H3
InChIKeyDJEXBCJYDBOWLT-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.96
Rot. Bonds4

About N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine

N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine (PubChem CID 61332756) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine
PubChem CID61332756
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC NameN-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine
SMILESCCNC1(c2nc(CC)c(C)s2)CCSC1
InChIInChI=1S/C12H20N2S2/c1-4-10-9(3)16-11(14-10)12(13-5-2)6-7-15-8-12/h13H,4-8H2,1-3H3
InChIKeyDJEXBCJYDBOWLT-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine?
The IUPAC name of N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine (CID 61332756) is N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine.
What is the SMILES notation for N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine?
The canonical SMILES for N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine is CCNC1(c2nc(CC)c(C)s2)CCSC1.
What is the InChIKey of N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine?
The InChIKey is DJEXBCJYDBOWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-4-10-9(3)16-11(14-10)12(13-5-2)6-7-15-8-12/h13H,4-8H2,1-3H3.
What are the key properties of N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine?
N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine has a molecular weight of 256.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine is sourced from PubChem (CID 61332756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).