4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one

C10H19N3O2S — CID 106381729

IUPAC4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCCCC(N)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H19N3O2S/c1-15-4-2-3-8(11)5-12-6-9-7-16-10(14)13-9/h7-8,12H,2-6,11H2,1H3,(H,13,14)
InChIKeyNRFXMNGUBVIWAJ-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.28
Rot. Bonds8

About 4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381729) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381729
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCCCC(N)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H19N3O2S/c1-15-4-2-3-8(11)5-12-6-9-7-16-10(14)13-9/h7-8,12H,2-6,11H2,1H3,(H,13,14)
InChIKeyNRFXMNGUBVIWAJ-UHFFFAOYSA-N
XLogP0.28
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[(1-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379700
4-[(4-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379815
4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379842
4-[[(3-methoxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379868
4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380122
4-[[(4-methoxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380520
4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380782
4-[(4-methoxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380853
2-amino-5-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
CID 106381170
4-[[(2-amino-4-methoxybutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381753

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106381729) is 4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one is COCCCC(N)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is NRFXMNGUBVIWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-15-4-2-3-8(11)5-12-6-9-7-16-10(14)13-9/h7-8,12H,2-6,11H2,1H3,(H,13,14).
What are the key properties of 4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 245.35 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).