N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C17H19F2N3O2S — CID 47047007

IUPACN-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)N(C)Cc2ccc(F)cc2F)cs1
InChIInChI=1S/C17H19F2N3O2S/c1-10(2)16(24)21-17-20-13(9-25-17)7-15(23)22(3)8-11-4-5-12(18)6-14(11)19/h4-6,9-10H,7-8H2,1-3H3,(H,20,21,24)
InChIKeyYSCQBKCGYUSRSM-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.22
Rot. Bonds6

About N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 47047007) has the molecular formula C17H19F2N3O2S and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID47047007
Molecular FormulaC17H19F2N3O2S
Molecular Weight367.42 g/mol
Exact Mass367.12
IUPAC NameN-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)N(C)Cc2ccc(F)cc2F)cs1
InChIInChI=1S/C17H19F2N3O2S/c1-10(2)16(24)21-17-20-13(9-25-17)7-15(23)22(3)8-11-4-5-12(18)6-14(11)19/h4-6,9-10H,7-8H2,1-3H3,(H,20,21,24)
InChIKeyYSCQBKCGYUSRSM-UHFFFAOYSA-N
XLogP3.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761776
N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55896960
2-methyl-N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 55772290
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55775456
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
N-[4-[2-[bis(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55775566
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
N-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55773731
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide
CID 62837784
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 47047007) is N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(CC(=O)N(C)Cc2ccc(F)cc2F)cs1.
What is the InChIKey of N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is YSCQBKCGYUSRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2S/c1-10(2)16(24)21-17-20-13(9-25-17)7-15(23)22(3)8-11-4-5-12(18)6-14(11)19/h4-6,9-10H,7-8H2,1-3H3,(H,20,21,24).
What are the key properties of N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 367.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 47047007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).