2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide

C15H17F3N4O3S — CID 145148912

IUPAC2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)NC(N)C(=O)N(c1nc2ccc(OC(F)(F)F)cc2s1)C(C)C
InChIInChI=1S/C15H17F3N4O3S/c1-7(2)22(13(24)12(19)20-8(3)23)14-21-10-5-4-9(6-11(10)26-14)25-15(16,17)18/h4-7,12H,19H2,1-3H3,(H,20,23)
InChIKeyYBXDFZRWLVTNGQ-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.36
Rot. Bonds5

About 2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide

2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 145148912) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
PubChem CID145148912
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC Name2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)NC(N)C(=O)N(c1nc2ccc(OC(F)(F)F)cc2s1)C(C)C
InChIInChI=1S/C15H17F3N4O3S/c1-7(2)22(13(24)12(19)20-8(3)23)14-21-10-5-4-9(6-11(10)26-14)25-15(16,17)18/h4-7,12H,19H2,1-3H3,(H,20,23)
InChIKeyYBXDFZRWLVTNGQ-UHFFFAOYSA-N
XLogP2.36
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122625092
N-[2-(propan-2-ylamino)ethyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamate
CID 150888389
2-[acetyl(propan-2-yl)amino]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 175748161
1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 90602655
2-amino-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122625103
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
methyl 4-[2-(dimethylamino)ethyl-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]benzoate
CID 90602411
2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride
CID 122656779
N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 118215837
1-chloroethyl N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamate
CID 118029905
2-(2-aminopropanoylamino)-2-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide
CID 122625153
N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide
CID 90602507

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide (CID 145148912) is 2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide is CC(=O)NC(N)C(=O)N(c1nc2ccc(OC(F)(F)F)cc2s1)C(C)C.
What is the InChIKey of 2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is YBXDFZRWLVTNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-7(2)22(13(24)12(19)20-8(3)23)14-21-10-5-4-9(6-11(10)26-14)25-15(16,17)18/h4-7,12H,19H2,1-3H3,(H,20,23).
What are the key properties of 2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 390.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 145148912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).