N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C17H14F3N3OS — CID 71898161

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3OS/c18-17(19,20)14-4-2-1-3-11(14)12-7-13(12)15(24)21-8-10-9-23-5-6-25-16(23)22-10/h1-6,9,12-13H,7-8H2,(H,21,24)
InChIKeyZAQRGZCSXPRORH-UHFFFAOYSA-N
MW365.38 g/mol
LogP3.83
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 71898161) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID71898161
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3OS/c18-17(19,20)14-4-2-1-3-11(14)12-7-13(12)15(24)21-8-10-9-23-5-6-25-16(23)22-10/h1-6,9,12-13H,7-8H2,(H,21,24)
InChIKeyZAQRGZCSXPRORH-UHFFFAOYSA-N
XLogP3.83
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 71898161) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(NCc1cn2ccsc2n1)C1CC1c1ccccc1C(F)(F)F.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZAQRGZCSXPRORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c18-17(19,20)14-4-2-1-3-11(14)12-7-13(12)15(24)21-8-10-9-23-5-6-25-16(23)22-10/h1-6,9,12-13H,7-8H2,(H,21,24).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71898161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).