4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one

C12H13FN2OS — CID 106380238

IUPAC4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCc1ccc(F)cc1CNCc1csc(=O)[nH]1
InChIInChI=1S/C12H13FN2OS/c1-8-2-3-10(13)4-9(8)5-14-6-11-7-17-12(16)15-11/h2-4,7,14H,5-6H2,1H3,(H,15,16)
InChIKeyMXZRZCPBUNXZSH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.17
Rot. Bonds4

About 4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380238) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380238
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCc1ccc(F)cc1CNCc1csc(=O)[nH]1
InChIInChI=1S/C12H13FN2OS/c1-8-2-3-10(13)4-9(8)5-14-6-11-7-17-12(16)15-11/h2-4,7,14H,5-6H2,1H3,(H,15,16)
InChIKeyMXZRZCPBUNXZSH-UHFFFAOYSA-N
XLogP2.17
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181240
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
4-[[1-(2,5-difluorophenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380489
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol
CID 115968066
1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 113356209
2-ethylsulfinyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115968137
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
2-amino-5-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 114181175
3-[(5-fluoro-2-methylphenyl)methylamino]propanenitrile
CID 107168016
N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 115967957
4,4,4-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]butan-1-amine
CID 113356259

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380238) is 4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one is Cc1ccc(F)cc1CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is MXZRZCPBUNXZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-8-2-3-10(13)4-9(8)5-14-6-11-7-17-12(16)15-11/h2-4,7,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 252.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).