5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one

C8H14N2OS — CID 82504320

IUPAC5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one
SMILESCCCn1c(C)c(CN)sc1=O
InChIInChI=1S/C8H14N2OS/c1-3-4-10-6(2)7(5-9)12-8(10)11/h3-5,9H2,1-2H3
InChIKeyJXSSTHIAFJRPFA-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.09
Rot. Bonds3

About 5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one

5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one (PubChem CID 82504320) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one
PubChem CID82504320
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one
SMILESCCCn1c(C)c(CN)sc1=O
InChIInChI=1S/C8H14N2OS/c1-3-4-10-6(2)7(5-9)12-8(10)11/h3-5,9H2,1-2H3
InChIKeyJXSSTHIAFJRPFA-UHFFFAOYSA-N
XLogP1.09
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one?
The IUPAC name of 5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one (CID 82504320) is 5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one?
The canonical SMILES for 5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one is CCCn1c(C)c(CN)sc1=O.
What is the InChIKey of 5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one?
The InChIKey is JXSSTHIAFJRPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-4-10-6(2)7(5-9)12-8(10)11/h3-5,9H2,1-2H3.
What are the key properties of 5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one?
5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one has a molecular weight of 186.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one is sourced from PubChem (CID 82504320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).