5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C8H16N2S — CID 134490340

IUPAC5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1SC(N)=NC1C(C)C
InChIInChI=1S/C8H16N2S/c1-4-6-7(5(2)3)10-8(9)11-6/h5-7H,4H2,1-3H3,(H2,9,10)
InChIKeyRFRNXYLNBNNNFY-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.85
Rot. Bonds2

About 5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 134490340) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID134490340
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1SC(N)=NC1C(C)C
InChIInChI=1S/C8H16N2S/c1-4-6-7(5(2)3)10-8(9)11-6/h5-7H,4H2,1-3H3,(H2,9,10)
InChIKeyRFRNXYLNBNNNFY-UHFFFAOYSA-N
XLogP1.85
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 134490340) is 5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC1SC(N)=NC1C(C)C.
What is the InChIKey of 5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RFRNXYLNBNNNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-4-6-7(5(2)3)10-8(9)11-6/h5-7H,4H2,1-3H3,(H2,9,10).
What are the key properties of 5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 172.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 134490340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).