4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one

C10H19N3OS — CID 106381812

IUPAC4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCC(C)(N)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H19N3OS/c1-3-4-10(2,11)7-12-5-8-6-15-9(14)13-8/h6,12H,3-5,7,11H2,1-2H3,(H,13,14)
InChIKeyXPIAMAGZHCFKNE-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.04
Rot. Bonds6

About 4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381812) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381812
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCC(C)(N)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H19N3OS/c1-3-4-10(2,11)7-12-5-8-6-15-9(14)13-8/h6,12H,3-5,7,11H2,1-2H3,(H,13,14)
InChIKeyXPIAMAGZHCFKNE-UHFFFAOYSA-N
XLogP1.04
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106381812) is 4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one is CCCC(C)(N)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XPIAMAGZHCFKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-4-10(2,11)7-12-5-8-6-15-9(14)13-8/h6,12H,3-5,7,11H2,1-2H3,(H,13,14).
What are the key properties of 4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 229.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).