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

C10H19N3OS — CID 106381832

IUPAC4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC(C)C(N)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H19N3OS/c1-3-7(2)9(11)5-12-4-8-6-15-10(14)13-8/h6-7,9,12H,3-5,11H2,1-2H3,(H,13,14)
InChIKeyWUGLHBBBHPFJPN-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.90
Rot. Bonds6

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

4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381832) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381832
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC(C)C(N)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H19N3OS/c1-3-7(2)9(11)5-12-4-8-6-15-10(14)13-8/h6-7,9,12H,3-5,11H2,1-2H3,(H,13,14)
InChIKeyWUGLHBBBHPFJPN-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylpentylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380059
4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380922
(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381235
3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide
CID 122133474
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 106382853
N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 106380942
4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380474
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine
CID 106012217
4-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380861
4-[[3-(4-aminophenyl)butylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381770

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106381832) is 4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one is CCC(C)C(N)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WUGLHBBBHPFJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-7(2)9(11)5-12-4-8-6-15-10(14)13-8/h6-7,9,12H,3-5,11H2,1-2H3,(H,13,14).
What are the key properties of 4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 229.35 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).