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

C20H20FN3OS — CID 2239890

IUPAC2-(2,4-dimethylanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3F)s2)c(C)c1
InChIInChI=1S/C20H20FN3OS/c1-13-7-8-18(14(2)9-13)22-12-19(25)24-20-23-11-16(26-20)10-15-5-3-4-6-17(15)21/h3-9,11,22H,10,12H2,1-2H3,(H,23,24,25)
InChIKeyDDNZTCLRLHKLHX-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.54
Rot. Bonds6

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

2-(2,4-dimethylanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 2239890) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID2239890
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name2-(2,4-dimethylanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3F)s2)c(C)c1
InChIInChI=1S/C20H20FN3OS/c1-13-7-8-18(14(2)9-13)22-12-19(25)24-20-23-11-16(26-20)10-15-5-3-4-6-17(15)21/h3-9,11,22H,10,12H2,1-2H3,(H,23,24,25)
InChIKeyDDNZTCLRLHKLHX-UHFFFAOYSA-N
XLogP4.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 2239890) is 2-(2,4-dimethylanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3F)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DDNZTCLRLHKLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-13-7-8-18(14(2)9-13)22-12-19(25)24-20-23-11-16(26-20)10-15-5-3-4-6-17(15)21/h3-9,11,22H,10,12H2,1-2H3,(H,23,24,25).
What are the key properties of 2-(2,4-dimethylanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(2,4-dimethylanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2239890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).