2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide

C19H17F3N4O3S — CID 122633267

IUPAC2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c(CNC(=O)CN)c1
InChIInChI=1S/C19H17F3N4O3S/c1-10-2-4-13(11(6-10)9-24-16(27)8-23)17(28)26-18-25-14-5-3-12(7-15(14)30-18)29-19(20,21)22/h2-7H,8-9,23H2,1H3,(H,24,27)(H,25,26,28)
InChIKeyJFXTXTQRHKCBQF-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.33
Rot. Bonds6

About 2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide

2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 122633267) has the molecular formula C19H17F3N4O3S and a molecular weight of 438.43 g/mol. Its IUPAC name is 2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
PubChem CID122633267
Molecular FormulaC19H17F3N4O3S
Molecular Weight438.43 g/mol
Exact Mass438.10
IUPAC Name2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c(CNC(=O)CN)c1
InChIInChI=1S/C19H17F3N4O3S/c1-10-2-4-13(11(6-10)9-24-16(27)8-23)17(28)26-18-25-14-5-3-12(7-15(14)30-18)29-19(20,21)22/h2-7H,8-9,23H2,1H3,(H,24,27)(H,25,26,28)
InChIKeyJFXTXTQRHKCBQF-UHFFFAOYSA-N
XLogP3.33
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide with MolForge

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Related Compounds

2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 134236054
3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride
CID 119275185
4-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide;hydrochloride
CID 119275202
2-(ethylamino)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122624925
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
2-amino-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122625103
methyl 5-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]thiophene-2-carboxylate
CID 55823981
2-chloro-5-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 75357215
1-amino-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclobutane-1-carboxamide
CID 122624961
2-[[2-(methanesulfonamido)acetyl]amino]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122656861
2-(methylamino)-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122624882
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide (CID 122633267) is 2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide is Cc1ccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c(CNC(=O)CN)c1.
What is the InChIKey of 2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is JFXTXTQRHKCBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3S/c1-10-2-4-13(11(6-10)9-24-16(27)8-23)17(28)26-18-25-14-5-3-12(7-15(14)30-18)29-19(20,21)22/h2-7H,8-9,23H2,1H3,(H,24,27)(H,25,26,28).
What are the key properties of 2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide?
2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 438.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 122633267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).