N-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide

C15H12F4N2OS — CID 59865796

IUPACN-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(/N=c1\sccn1CC1CC1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H12F4N2OS/c16-12-10(2-1-3-11(12)15(17,18)19)13(22)20-14-21(6-7-23-14)8-9-4-5-9/h1-3,6-7,9H,4-5,8H2/b20-14-
InChIKeyGOZHYRQZIPWYLV-ZHZULCJRSA-N
MW344.33 g/mol
LogP3.86
Rot. Bonds3

About N-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide

N-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 59865796) has the molecular formula C15H12F4N2OS and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID59865796
Molecular FormulaC15H12F4N2OS
Molecular Weight344.33 g/mol
Exact Mass344.06
IUPAC NameN-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(/N=c1\sccn1CC1CC1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H12F4N2OS/c16-12-10(2-1-3-11(12)15(17,18)19)13(22)20-14-21(6-7-23-14)8-9-4-5-9/h1-3,6-7,9H,4-5,8H2/b20-14-
InChIKeyGOZHYRQZIPWYLV-ZHZULCJRSA-N
XLogP3.86
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide (CID 59865796) is N-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide is O=C(/N=c1\sccn1CC1CC1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is GOZHYRQZIPWYLV-ZHZULCJRSA-N. The full InChI is InChI=1S/C15H12F4N2OS/c16-12-10(2-1-3-11(12)15(17,18)19)13(22)20-14-21(6-7-23-14)8-9-4-5-9/h1-3,6-7,9H,4-5,8H2/b20-14-.
What are the key properties of N-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide?
N-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 344.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 59865796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).