N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide

C16H19F2N3O2S — CID 86865419

IUPACN-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide
SMILESCc1nc(CN(C)C(C)C(=O)Nc2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C16H19F2N3O2S/c1-10(21(3)8-13-9-24-11(2)19-13)15(22)20-12-4-6-14(7-5-12)23-16(17)18/h4-7,9-10,16H,8H2,1-3H3,(H,20,22)
InChIKeyQOEUZPSRINSQTN-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.51
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide

N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide (PubChem CID 86865419) has the molecular formula C16H19F2N3O2S and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide
PubChem CID86865419
Molecular FormulaC16H19F2N3O2S
Molecular Weight355.41 g/mol
Exact Mass355.12
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide
SMILESCc1nc(CN(C)C(C)C(=O)Nc2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C16H19F2N3O2S/c1-10(21(3)8-13-9-24-11(2)19-13)15(22)20-12-4-6-14(7-5-12)23-16(17)18/h4-7,9-10,16H,8H2,1-3H3,(H,20,22)
InChIKeyQOEUZPSRINSQTN-UHFFFAOYSA-N
XLogP3.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide
CID 63585043
(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
CID 7995629
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide
CID 86907053
N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18274343
1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one
CID 62051669
N-[2-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18094148
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 5000162
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 78701766
N-[4-(difluoromethoxy)phenyl]-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881217
3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 78848513
N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 103776250
(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 37425693

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide (CID 86865419) is N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide is Cc1nc(CN(C)C(C)C(=O)Nc2ccc(OC(F)F)cc2)cs1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide?
The InChIKey is QOEUZPSRINSQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2S/c1-10(21(3)8-13-9-24-11(2)19-13)15(22)20-12-4-6-14(7-5-12)23-16(17)18/h4-7,9-10,16H,8H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide?
N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide has a molecular weight of 355.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide is sourced from PubChem (CID 86865419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).