N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide

C18H13ClFN3O2S — CID 8502204

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C18H13ClFN3O2S/c1-10(24)21-12-7-5-11(6-8-12)15-9-26-18(22-15)23-17(25)16-13(19)3-2-4-14(16)20/h2-9H,1H3,(H,21,24)(H,22,23,25)
InChIKeyOASOHSATRLOOGD-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.81
Rot. Bonds4

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide (PubChem CID 8502204) has the molecular formula C18H13ClFN3O2S and a molecular weight of 389.84 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide
PubChem CID8502204
Molecular FormulaC18H13ClFN3O2S
Molecular Weight389.84 g/mol
Exact Mass389.04
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C18H13ClFN3O2S/c1-10(24)21-12-7-5-11(6-8-12)15-9-26-18(22-15)23-17(25)16-13(19)3-2-4-14(16)20/h2-9H,1H3,(H,21,24)(H,22,23,25)
InChIKeyOASOHSATRLOOGD-UHFFFAOYSA-N
XLogP4.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562
N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 4799137
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 2524131
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2114071
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-(2-chlorophenyl)furan-2-carboxamide
CID 24568506
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
CID 41247404
2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 72720053
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 26894026

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide (CID 8502204) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(F)cccc3Cl)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide?
The InChIKey is OASOHSATRLOOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2S/c1-10(24)21-12-7-5-11(6-8-12)15-9-26-18(22-15)23-17(25)16-13(19)3-2-4-14(16)20/h2-9H,1H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide has a molecular weight of 389.84 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 8502204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).