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

C7H12N2O2S — CID 103113132

IUPAC4-(1-amino-3-methoxypropyl)-3H-1,3-thiazol-2-one
SMILESCOCCC(N)c1csc(=O)[nH]1
InChIInChI=1S/C7H12N2O2S/c1-11-3-2-5(8)6-4-12-7(10)9-6/h4-5H,2-3,8H2,1H3,(H,9,10)
InChIKeyUREUGFBJOPRTOO-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.47
Rot. Bonds4

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

4-(1-amino-3-methoxypropyl)-3H-1,3-thiazol-2-one (PubChem CID 103113132) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 4-(1-amino-3-methoxypropyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(1-amino-3-methoxypropyl)-3H-1,3-thiazol-2-one
PubChem CID103113132
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name4-(1-amino-3-methoxypropyl)-3H-1,3-thiazol-2-one
SMILESCOCCC(N)c1csc(=O)[nH]1
InChIInChI=1S/C7H12N2O2S/c1-11-3-2-5(8)6-4-12-7(10)9-6/h4-5H,2-3,8H2,1H3,(H,9,10)
InChIKeyUREUGFBJOPRTOO-UHFFFAOYSA-N
XLogP0.47
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one
CID 103113146
4-(1-amino-2-methoxyethyl)-3H-1,3-thiazol-2-one
CID 103113151
4-(1-aminopropyl)-3H-1,3-thiazol-2-one
CID 103113156
4-[(4-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379815
4-[(4-methoxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380853
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-(1-amino-3-methoxypropyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(1-amino-3-methoxypropyl)-3H-1,3-thiazol-2-one (CID 103113132) is 4-(1-amino-3-methoxypropyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(1-amino-3-methoxypropyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(1-amino-3-methoxypropyl)-3H-1,3-thiazol-2-one is COCCC(N)c1csc(=O)[nH]1.
What is the InChIKey of 4-(1-amino-3-methoxypropyl)-3H-1,3-thiazol-2-one?
The InChIKey is UREUGFBJOPRTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-11-3-2-5(8)6-4-12-7(10)9-6/h4-5H,2-3,8H2,1H3,(H,9,10).
What are the key properties of 4-(1-amino-3-methoxypropyl)-3H-1,3-thiazol-2-one?
4-(1-amino-3-methoxypropyl)-3H-1,3-thiazol-2-one has a molecular weight of 188.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3-methoxypropyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).