2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide

C16H18F3N3O2S — CID 46196553

IUPAC2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide
SMILESCn1/c(=N/NC(=O)CC2CCCC2)sc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C16H18F3N3O2S/c1-22-12-7-6-11(24-16(17,18)19)9-13(12)25-15(22)21-20-14(23)8-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,20,23)/b21-15-
InChIKeyZBHICRAJUNKGFK-QNGOZBTKSA-N
MW373.40 g/mol
LogP3.65
Rot. Bonds4

About 2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide

2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide (PubChem CID 46196553) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide
PubChem CID46196553
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC Name2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide
SMILESCn1/c(=N/NC(=O)CC2CCCC2)sc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C16H18F3N3O2S/c1-22-12-7-6-11(24-16(17,18)19)9-13(12)25-15(22)21-20-14(23)8-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,20,23)/b21-15-
InChIKeyZBHICRAJUNKGFK-QNGOZBTKSA-N
XLogP3.65
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]butanamide
CID 46196552
N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]cyclohexanecarboxamide
CID 46230311
N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]cyclopentanecarboxamide
CID 46230312
2,2-dimethyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]propanamide
CID 46230313
3-fluoro-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]benzamide
CID 46230358
4-fluoro-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]benzamide
CID 46230359
N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]benzamide
CID 46230406
cyclopentyl N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]carbamate
CID 46230408
tert-butyl N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]carbamate
CID 46230409
3-(difluoromethoxy)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6906451
N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]adamantane-1-carboxamide
CID 46230207
4-methyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]pentanamide
CID 46230355

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide (CID 46196553) is 2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide is Cn1/c(=N/NC(=O)CC2CCCC2)sc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide?
The InChIKey is ZBHICRAJUNKGFK-QNGOZBTKSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c1-22-12-7-6-11(24-16(17,18)19)9-13(12)25-15(22)21-20-14(23)8-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,20,23)/b21-15-.
What are the key properties of 2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide?
2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide has a molecular weight of 373.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]acetamide is sourced from PubChem (CID 46196553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).