N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

C13H11F3N2O2S — CID 155544476

IUPACN-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESCOc1cc2nc(NC(=O)C3CC3)sc2cc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O2S/c1-20-9-5-8-10(4-7(9)13(14,15)16)21-12(17-8)18-11(19)6-2-3-6/h4-6H,2-3H2,1H3,(H,17,18,19)
InChIKeyMKXOTOYVMSEYHA-UHFFFAOYSA-N
MW316.30 g/mol
LogP3.67
Rot. Bonds3

About N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (PubChem CID 155544476) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
PubChem CID155544476
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC NameN-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESCOc1cc2nc(NC(=O)C3CC3)sc2cc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O2S/c1-20-9-5-8-10(4-7(9)13(14,15)16)21-12(17-8)18-11(19)6-2-3-6/h4-6H,2-3H2,1H3,(H,17,18,19)
InChIKeyMKXOTOYVMSEYHA-UHFFFAOYSA-N
XLogP3.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 121028824
5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 87877149
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738
5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7244543
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16861769
N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 31892224
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24600011
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119669339

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (CID 155544476) is N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is COc1cc2nc(NC(=O)C3CC3)sc2cc1C(F)(F)F.
What is the InChIKey of N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is MKXOTOYVMSEYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-20-9-5-8-10(4-7(9)13(14,15)16)21-12(17-8)18-11(19)6-2-3-6/h4-6H,2-3H2,1H3,(H,17,18,19).
What are the key properties of N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 316.30 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155544476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).