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

C11H10F2N2OS — CID 114181240

IUPAC4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCc2cc(F)cc(F)c2)cs1
InChIInChI=1S/C11H10F2N2OS/c12-8-1-7(2-9(13)3-8)4-14-5-10-6-17-11(16)15-10/h1-3,6,14H,4-5H2,(H,15,16)
InChIKeyINTYJWZCWPHQJV-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.00
Rot. Bonds4

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

4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181240) has the molecular formula C11H10F2N2OS and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181240
Molecular FormulaC11H10F2N2OS
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCc2cc(F)cc(F)c2)cs1
InChIInChI=1S/C11H10F2N2OS/c12-8-1-7(2-9(13)3-8)4-14-5-10-6-17-11(16)15-10/h1-3,6,14H,4-5H2,(H,15,16)
InChIKeyINTYJWZCWPHQJV-UHFFFAOYSA-N
XLogP2.00
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380238
4-[[(3-aminophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381742
4-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380010
4-[(2-amino-3,5-difluoroanilino)methyl]-3H-1,3-thiazol-2-one
CID 114181202
N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide
CID 106379644
4-[[[3-bromo-4-(trifluoromethoxy)phenyl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380450
4-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181350
4-[[(3-propan-2-yloxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380417
4-[(1,3-thiazol-4-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380405
2-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]propanoic acid
CID 106382338
N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115579770
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide
CID 106380607

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 114181240) is 4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCc2cc(F)cc(F)c2)cs1.
What is the InChIKey of 4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is INTYJWZCWPHQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2OS/c12-8-1-7(2-9(13)3-8)4-14-5-10-6-17-11(16)15-10/h1-3,6,14H,4-5H2,(H,15,16).
What are the key properties of 4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 256.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).