1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine

C12H20N2S2 — CID 82436767

IUPAC1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)SCc1nc(C2CC2)c(C(C)N)s1
InChIInChI=1S/C12H20N2S2/c1-7(2)15-6-10-14-11(9-4-5-9)12(16-10)8(3)13/h7-9H,4-6,13H2,1-3H3
InChIKeyPCOOBOHXWIGGQV-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.68
Rot. Bonds5

About 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine

1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82436767) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82436767
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)SCc1nc(C2CC2)c(C(C)N)s1
InChIInChI=1S/C12H20N2S2/c1-7(2)15-6-10-14-11(9-4-5-9)12(16-10)8(3)13/h7-9H,4-6,13H2,1-3H3
InChIKeyPCOOBOHXWIGGQV-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine (CID 82436767) is 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine is CC(C)SCc1nc(C2CC2)c(C(C)N)s1.
What is the InChIKey of 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is PCOOBOHXWIGGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-7(2)15-6-10-14-11(9-4-5-9)12(16-10)8(3)13/h7-9H,4-6,13H2,1-3H3.
What are the key properties of 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 256.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82436767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).