4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one

C14H18N2O2S — CID 106380417

IUPAC4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)Oc1cccc(CNCc2csc(=O)[nH]2)c1
InChIInChI=1S/C14H18N2O2S/c1-10(2)18-13-5-3-4-11(6-13)7-15-8-12-9-19-14(17)16-12/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyZXUMUSDQJSIIGH-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.51
Rot. Bonds6

About 4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380417) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380417
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)Oc1cccc(CNCc2csc(=O)[nH]2)c1
InChIInChI=1S/C14H18N2O2S/c1-10(2)18-13-5-3-4-11(6-13)7-15-8-12-9-19-14(17)16-12/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyZXUMUSDQJSIIGH-UHFFFAOYSA-N
XLogP2.51
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-aminophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381742
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
4-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181350
N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 62634740
N-[(3-ethyl-2-pyridinyl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 82732206
3-methylsulfanyl-N-[(3-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 115604278
N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 55137874
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 112730010
N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 61211880
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380417) is 4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one is CC(C)Oc1cccc(CNCc2csc(=O)[nH]2)c1.
What is the InChIKey of 4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ZXUMUSDQJSIIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10(2)18-13-5-3-4-11(6-13)7-15-8-12-9-19-14(17)16-12/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 278.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).