2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide

C15H14F3N3O3S — CID 42958187

IUPAC2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C15H14F3N3O3S/c1-7-4-9(7)13(23)19-6-12(22)21-14-20-10-3-2-8(5-11(10)25-14)24-15(16,17)18/h2-3,5,7,9H,4,6H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyRSARBQIYXDIGNL-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.91
Rot. Bonds5

About 2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide

2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide (PubChem CID 42958187) has the molecular formula C15H14F3N3O3S and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide
PubChem CID42958187
Molecular FormulaC15H14F3N3O3S
Molecular Weight373.36 g/mol
Exact Mass373.07
IUPAC Name2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C15H14F3N3O3S/c1-7-4-9(7)13(23)19-6-12(22)21-14-20-10-3-2-8(5-11(10)25-14)24-15(16,17)18/h2-3,5,7,9H,4,6H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyRSARBQIYXDIGNL-UHFFFAOYSA-N
XLogP2.91
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-[[2-(methanesulfonamido)acetyl]amino]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122656861
2-(ethylamino)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122624925
2-amino-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122625103
1-amino-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclobutane-1-carboxamide
CID 122624961
2-(methylamino)-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122624882
N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide
CID 175748168
trans-(1S,2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 8883363
3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride
CID 119275185
2-[acetyl(propan-2-yl)amino]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 175748161
4-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide;hydrochloride
CID 119275202
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
2-methyl-N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide
CID 122625083

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide (CID 42958187) is 2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide is CC1CC1C(=O)NCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide?
The InChIKey is RSARBQIYXDIGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S/c1-7-4-9(7)13(23)19-6-12(22)21-14-20-10-3-2-8(5-11(10)25-14)24-15(16,17)18/h2-3,5,7,9H,4,6H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide?
2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 42958187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).