N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H21F3N4OS — CID 42516856

IUPACN-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C19H21F3N4OS/c1-3-25(4-2)10-9-23-17(27)16-12-28-18-24-15(11-26(16)18)13-5-7-14(8-6-13)19(20,21)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,27)
InChIKeyZYNSIDNUIQFKSB-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.15
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42516856) has the molecular formula C19H21F3N4OS and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42516856
Molecular FormulaC19H21F3N4OS
Molecular Weight410.47 g/mol
Exact Mass410.14
IUPAC NameN-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C19H21F3N4OS/c1-3-25(4-2)10-9-23-17(27)16-12-28-18-24-15(11-26(16)18)13-5-7-14(8-6-13)19(20,21)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,27)
InChIKeyZYNSIDNUIQFKSB-UHFFFAOYSA-N
XLogP4.15
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290122
N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56707592
N-[3-(dimethylamino)propyl]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271640
N-[2-(diethylamino)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522369
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270327
N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95188658
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42147819
N-[3-(diethylamino)propyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509101
6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 26401845
N-[3-(diethylamino)propyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509217
6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270727

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42516856) is N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is CCN(CC)CCNC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is ZYNSIDNUIQFKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4OS/c1-3-25(4-2)10-9-23-17(27)16-12-28-18-24-15(11-26(16)18)13-5-7-14(8-6-13)19(20,21)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42516856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).