2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide

C20H16F2N4OS2 — CID 26372211

IUPAC2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)Cc1nc2ccccc2s1
InChIInChI=1S/C20H16F2N4OS2/c1-26(10-19-23-15-4-2-3-5-17(15)29-19)9-18(27)25-20-24-16(11-28-20)12-6-7-13(21)14(22)8-12/h2-8,11H,9-10H2,1H3,(H,24,25,27)
InChIKeyFAYYXCWLYLMBHQ-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.77
Rot. Bonds6

About 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide

2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 26372211) has the molecular formula C20H16F2N4OS2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID26372211
Molecular FormulaC20H16F2N4OS2
Molecular Weight430.51 g/mol
Exact Mass430.07
IUPAC Name2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)Cc1nc2ccccc2s1
InChIInChI=1S/C20H16F2N4OS2/c1-26(10-19-23-15-4-2-3-5-17(15)29-19)9-18(27)25-20-24-16(11-28-20)12-6-7-13(21)14(22)8-12/h2-8,11H,9-10H2,1H3,(H,24,25,27)
InChIKeyFAYYXCWLYLMBHQ-UHFFFAOYSA-N
XLogP4.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 26307182
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26645449
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-phenylphenyl)acetamide
CID 8802128
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8802197
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 8801647
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16565427
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2481850
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 18088614
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366725
2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 18136049
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 16910410
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 8801536

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 26372211) is 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide is CN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)Cc1nc2ccccc2s1.
What is the InChIKey of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is FAYYXCWLYLMBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4OS2/c1-26(10-19-23-15-4-2-3-5-17(15)29-19)9-18(27)25-20-24-16(11-28-20)12-6-7-13(21)14(22)8-12/h2-8,11H,9-10H2,1H3,(H,24,25,27).
What are the key properties of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 430.51 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 26372211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).