N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide

C13H14FN3OS — CID 9356412

IUPACN-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(N(C)C)n2)c(F)c1
InChIInChI=1S/C13H14FN3OS/c1-8(18)15-9-4-5-10(11(14)6-9)12-7-19-13(16-12)17(2)3/h4-7H,1-3H3,(H,15,18)
InChIKeyHZPCNFNOZZARIY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.97
Rot. Bonds3

About N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide

N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide (PubChem CID 9356412) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide
PubChem CID9356412
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC NameN-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(N(C)C)n2)c(F)c1
InChIInChI=1S/C13H14FN3OS/c1-8(18)15-9-4-5-10(11(14)6-9)12-7-19-13(16-12)17(2)3/h4-7H,1-3H3,(H,15,18)
InChIKeyHZPCNFNOZZARIY-UHFFFAOYSA-N
XLogP2.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 135569925
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 17404298
N-[3-fluoro-4-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356448
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
trans-(1R,2R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40856431
N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 17458228
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521368
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide
CID 119275665
methyl 5-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]thiophene-2-carboxylate
CID 55824497
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24556422
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 46519571
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
CID 56549898

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide?
The IUPAC name of N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide (CID 9356412) is N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide is CC(=O)Nc1ccc(-c2csc(N(C)C)n2)c(F)c1.
What is the InChIKey of N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide?
The InChIKey is HZPCNFNOZZARIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8(18)15-9-4-5-10(11(14)6-9)12-7-19-13(16-12)17(2)3/h4-7H,1-3H3,(H,15,18).
What are the key properties of N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide?
N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide is sourced from PubChem (CID 9356412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).