N-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide

C16H18FN3O2S — CID 56823924

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C16H18FN3O2S/c1-19(2)15(21)10-20(3)16(22)13-9-18-14(23-13)8-11-4-6-12(17)7-5-11/h4-7,9H,8,10H2,1-3H3
InChIKeyYEECPAWKDXONRA-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.03
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 56823924) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID56823924
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C16H18FN3O2S/c1-19(2)15(21)10-20(3)16(22)13-9-18-14(23-13)8-11-4-6-12(17)7-5-11/h4-7,9H,8,10H2,1-3H3
InChIKeyYEECPAWKDXONRA-UHFFFAOYSA-N
XLogP2.03
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide (CID 56823924) is N-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide is CN(C)C(=O)CN(C)C(=O)c1cnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YEECPAWKDXONRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-19(2)15(21)10-20(3)16(22)13-9-18-14(23-13)8-11-4-6-12(17)7-5-11/h4-7,9H,8,10H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56823924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).