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

C10H19N3O2S — CID 106380122

IUPAC4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCC(CCCN)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H19N3O2S/c1-15-6-8(3-2-4-11)12-5-9-7-16-10(14)13-9/h7-8,12H,2-6,11H2,1H3,(H,13,14)
InChIKeyKUWZXFYCDMBNTR-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.28
Rot. Bonds8

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

4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380122) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380122
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCC(CCCN)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H19N3O2S/c1-15-6-8(3-2-4-11)12-5-9-7-16-10(14)13-9/h7-8,12H,2-6,11H2,1H3,(H,13,14)
InChIKeyKUWZXFYCDMBNTR-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

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Related Compounds

4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
4-[(1-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379700
4-[[(2-methoxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379723
4-[(4-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379815
4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379957
4-[(3-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380102
4-[[(2-methyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380115
tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate
CID 106380121
4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380176
4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380212
4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380225
4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380236

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380122) is 4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is COCC(CCCN)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is KUWZXFYCDMBNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-15-6-8(3-2-4-11)12-5-9-7-16-10(14)13-9/h7-8,12H,2-6,11H2,1H3,(H,13,14).
What are the key properties of 4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(5-amino-1-methoxypentan-2-yl)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-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).