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

C8H15N3O2S — CID 106381728

IUPAC4-[[(2-amino-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCC(N)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H15N3O2S/c1-13-4-6(9)2-10-3-7-5-14-8(12)11-7/h5-6,10H,2-4,9H2,1H3,(H,11,12)
InChIKeyMFWQBGBDVNBGMD-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.50
Rot. Bonds6

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

4-[[(2-amino-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381728) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-[[(2-amino-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-amino-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381728
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name4-[[(2-amino-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCC(N)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H15N3O2S/c1-13-4-6(9)2-10-3-7-5-14-8(12)11-7/h5-6,10H,2-4,9H2,1H3,(H,11,12)
InChIKeyMFWQBGBDVNBGMD-UHFFFAOYSA-N
XLogP-0.50
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380970
4-[(butan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113137
4-(1-amino-2-methoxyethyl)-3H-1,3-thiazol-2-one
CID 103113151
4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113155
4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379635
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-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379763
4-[(4-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379815
4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379865
4-[(oxan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380047
4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380089

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-amino-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106381728) is 4-[[(2-amino-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-amino-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-amino-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one is COCC(N)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(2-amino-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is MFWQBGBDVNBGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-13-4-6(9)2-10-3-7-5-14-8(12)11-7/h5-6,10H,2-4,9H2,1H3,(H,11,12).
What are the key properties of 4-[[(2-amino-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-amino-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 217.29 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).