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

C14H15ClFN3OS — CID 110386789

IUPACN-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCN(C)Cc1nc(CC(=O)Nc2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C14H15ClFN3OS/c1-19(2)7-14-18-10(8-21-14)6-13(20)17-9-3-4-12(16)11(15)5-9/h3-5,8H,6-7H2,1-2H3,(H,17,20)
InChIKeyCSIFGMPNKHBNBA-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.18
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 110386789) has the molecular formula C14H15ClFN3OS and a molecular weight of 327.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID110386789
Molecular FormulaC14H15ClFN3OS
Molecular Weight327.81 g/mol
Exact Mass327.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCN(C)Cc1nc(CC(=O)Nc2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C14H15ClFN3OS/c1-19(2)7-14-18-10(8-21-14)6-13(20)17-9-3-4-12(16)11(15)5-9/h3-5,8H,6-7H2,1-2H3,(H,17,20)
InChIKeyCSIFGMPNKHBNBA-UHFFFAOYSA-N
XLogP3.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110386782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
CID 110386812
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110386803
2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 71916844
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110386804
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812228
N-(3-chloro-4-fluorophenyl)-2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16899743
N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940704
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 43244296
N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679697
N-(5-acetamido-2-fluorophenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069303
2-[4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 78788127

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide (CID 110386789) is N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide is CN(C)Cc1nc(CC(=O)Nc2ccc(F)c(Cl)c2)cs1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is CSIFGMPNKHBNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3OS/c1-19(2)7-14-18-10(8-21-14)6-13(20)17-9-3-4-12(16)11(15)5-9/h3-5,8H,6-7H2,1-2H3,(H,17,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 327.81 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110386789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).