4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide

C16H19F2N3O3S — CID 120587389

IUPAC4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1
InChIInChI=1S/C16H19F2N3O3S/c1-9-14(10-3-5-11(6-4-10)24-15(17)18)21-16(25-9)20-13(22)7-12(8-19)23-2/h3-6,12,15H,7-8,19H2,1-2H3,(H,20,21,22)
InChIKeyJHHXAESYGDWWGB-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.02
Rot. Bonds8

About 4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide

4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide (PubChem CID 120587389) has the molecular formula C16H19F2N3O3S and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide
PubChem CID120587389
Molecular FormulaC16H19F2N3O3S
Molecular Weight371.41 g/mol
Exact Mass371.11
IUPAC Name4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1
InChIInChI=1S/C16H19F2N3O3S/c1-9-14(10-3-5-11(6-4-10)24-15(17)18)21-16(25-9)20-13(22)7-12(8-19)23-2/h3-6,12,15H,7-8,19H2,1-2H3,(H,20,21,22)
InChIKeyJHHXAESYGDWWGB-UHFFFAOYSA-N
XLogP3.02
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119693574
4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide
CID 120586855
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
CID 60620546
(E)-3-[4-(difluoromethoxy)phenyl]-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 18205332
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119693581
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 35540458
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120588197
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31122981

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide (CID 120587389) is 4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1.
What is the InChIKey of 4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide?
The InChIKey is JHHXAESYGDWWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3S/c1-9-14(10-3-5-11(6-4-10)24-15(17)18)21-16(25-9)20-13(22)7-12(8-19)23-2/h3-6,12,15H,7-8,19H2,1-2H3,(H,20,21,22).
What are the key properties of 4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide?
4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide has a molecular weight of 371.41 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide is sourced from PubChem (CID 120587389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).