N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide

C23H19F3N4OS — CID 90214050

IUPACN-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(C2CC2NCc2cn3ccsc3n2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H19F3N4OS/c24-23(25,26)16-3-1-2-15(10-16)21(31)28-17-6-4-14(5-7-17)19-11-20(19)27-12-18-13-30-8-9-32-22(30)29-18/h1-10,13,19-20,27H,11-12H2,(H,28,31)
InChIKeyCYVCRENBHNSGDE-UHFFFAOYSA-N
MW456.49 g/mol
LogP5.31
Rot. Bonds6

About N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90214050) has the molecular formula C23H19F3N4OS and a molecular weight of 456.49 g/mol. Its IUPAC name is N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID90214050
Molecular FormulaC23H19F3N4OS
Molecular Weight456.49 g/mol
Exact Mass456.12
IUPAC NameN-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(C2CC2NCc2cn3ccsc3n2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H19F3N4OS/c24-23(25,26)16-3-1-2-15(10-16)21(31)28-17-6-4-14(5-7-17)19-11-20(19)27-12-18-13-30-8-9-32-22(30)29-18/h1-10,13,19-20,27H,11-12H2,(H,28,31)
InChIKeyCYVCRENBHNSGDE-UHFFFAOYSA-N
XLogP5.31
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide 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

[2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid
CID 90214126
N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide
CID 90214059
N-[4-[2-[(1-phenylpiperidin-4-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide;dihydrochloride
CID 90214387
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline
CID 115331445
[(1R,2S)-2-[4-[(3-tert-butylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214249
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide
CID 134027697
4-acetamido-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 134027726
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 71898161
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline
CID 115331578

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide (CID 90214050) is N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(C2CC2NCc2cn3ccsc3n2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is CYVCRENBHNSGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4OS/c24-23(25,26)16-3-1-2-15(10-16)21(31)28-17-6-4-14(5-7-17)19-11-20(19)27-12-18-13-30-8-9-32-22(30)29-18/h1-10,13,19-20,27H,11-12H2,(H,28,31).
What are the key properties of N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 456.49 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90214050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).