N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide

C14H14F2N2O3S2 — CID 51125724

IUPACN-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1)S(C)(=O)=O
InChIInChI=1S/C14H14F2N2O3S2/c1-8(23(2,20)21)13(19)18-14-17-7-11(22-14)5-9-3-4-10(15)6-12(9)16/h3-4,6-8H,5H2,1-2H3,(H,17,18,19)
InChIKeyDHTYCVWUEXAYOP-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.38
Rot. Bonds5

About N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide

N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide (PubChem CID 51125724) has the molecular formula C14H14F2N2O3S2 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
PubChem CID51125724
Molecular FormulaC14H14F2N2O3S2
Molecular Weight360.41 g/mol
Exact Mass360.04
IUPAC NameN-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1)S(C)(=O)=O
InChIInChI=1S/C14H14F2N2O3S2/c1-8(23(2,20)21)13(19)18-14-17-7-11(22-14)5-9-3-4-10(15)6-12(9)16/h3-4,6-8H,5H2,1-2H3,(H,17,18,19)
InChIKeyDHTYCVWUEXAYOP-UHFFFAOYSA-N
XLogP2.38
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119305393
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956995
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120987384
(2R)-2-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 94024935
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride
CID 119752322
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 60578895
2-(cyanomethylsulfanyl)-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51092641
2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956531
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119751025
(E)-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 60578713
5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole
CID 130314674

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide (CID 51125724) is N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide is CC(C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1)S(C)(=O)=O.
What is the InChIKey of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide?
The InChIKey is DHTYCVWUEXAYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3S2/c1-8(23(2,20)21)13(19)18-14-17-7-11(22-14)5-9-3-4-10(15)6-12(9)16/h3-4,6-8H,5H2,1-2H3,(H,17,18,19).
What are the key properties of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide?
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide has a molecular weight of 360.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 51125724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).