N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide

C16H20FN3OS — CID 91787380

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
SMILESCc1nc(CNC(=O)CN(C)Cc2ccccc2F)sc1C
InChIInChI=1S/C16H20FN3OS/c1-11-12(2)22-16(19-11)8-18-15(21)10-20(3)9-13-6-4-5-7-14(13)17/h4-7H,8-10H2,1-3H3,(H,18,21)
InChIKeyKFQVYEXYOJAOQU-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.65
Rot. Bonds6

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 91787380) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
PubChem CID91787380
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
SMILESCc1nc(CNC(=O)CN(C)Cc2ccccc2F)sc1C
InChIInChI=1S/C16H20FN3OS/c1-11-12(2)22-16(19-11)8-18-15(21)10-20(3)9-13-6-4-5-7-14(13)17/h4-7H,8-10H2,1-3H3,(H,18,21)
InChIKeyKFQVYEXYOJAOQU-UHFFFAOYSA-N
XLogP2.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87013271
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 8804591
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110446475
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 24566118
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9034646
N-(2-cyanoethyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18124298
2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 120550517
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 110441535
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 8695272
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide
CID 110443135
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide (CID 91787380) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide is Cc1nc(CNC(=O)CN(C)Cc2ccccc2F)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is KFQVYEXYOJAOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-11-12(2)22-16(19-11)8-18-15(21)10-20(3)9-13-6-4-5-7-14(13)17/h4-7H,8-10H2,1-3H3,(H,18,21).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 321.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 91787380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).