N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

C12H9F3N2OS — CID 121028824

IUPACN-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(C(F)(F)F)cccc2s1)C1CC1
InChIInChI=1S/C12H9F3N2OS/c13-12(14,15)7-2-1-3-8-9(7)16-11(19-8)17-10(18)6-4-5-6/h1-3,6H,4-5H2,(H,16,17,18)
InChIKeyQWVVLZNTFNSWBA-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.66
Rot. Bonds2

About N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (PubChem CID 121028824) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
PubChem CID121028824
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC NameN-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(C(F)(F)F)cccc2s1)C1CC1
InChIInChI=1S/C12H9F3N2OS/c13-12(14,15)7-2-1-3-8-9(7)16-11(19-8)17-10(18)6-4-5-6/h1-3,6H,4-5H2,(H,16,17,18)
InChIKeyQWVVLZNTFNSWBA-UHFFFAOYSA-N
XLogP3.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
CID 121028814
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
5-oxo-1-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide
CID 121028929
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enamide
CID 154766225
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 16938450
N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 31892224
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 121028845
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
N-(4-bromo-1,3-benzothiazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 43989493
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 71778697

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (CID 121028824) is N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2c(C(F)(F)F)cccc2s1)C1CC1.
What is the InChIKey of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is QWVVLZNTFNSWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c13-12(14,15)7-2-1-3-8-9(7)16-11(19-8)17-10(18)6-4-5-6/h1-3,6H,4-5H2,(H,16,17,18).
What are the key properties of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 286.28 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121028824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).