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

C18H15F3N6OS — CID 95188658

IUPACN-[(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
SMILESCc1nc([C@H](C)NC(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)n[nH]1
InChIInChI=1S/C18H15F3N6OS/c1-9(15-23-10(2)25-26-15)22-16(28)14-8-29-17-24-13(7-27(14)17)11-3-5-12(6-4-11)18(19,20)21/h3-9H,1-2H3,(H,22,28)(H,23,25,26)/t9-/m0/s1
InChIKeyKTTFVGGUFBNTHM-VIFPVBQESA-N
MW420.42 g/mol
LogP4.00
Rot. Bonds4

About 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

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 (PubChem CID 95188658) has the molecular formula C18H15F3N6OS and a molecular weight of 420.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID95188658
Molecular FormulaC18H15F3N6OS
Molecular Weight420.42 g/mol
Exact Mass420.10
IUPAC NameN-[(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
SMILESCc1nc([C@H](C)NC(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)n[nH]1
InChIInChI=1S/C18H15F3N6OS/c1-9(15-23-10(2)25-26-15)22-16(28)14-8-29-17-24-13(7-27(14)17)11-3-5-12(6-4-11)18(19,20)21/h3-9H,1-2H3,(H,22,28)(H,23,25,26)/t9-/m0/s1
InChIKeyKTTFVGGUFBNTHM-VIFPVBQESA-N
XLogP4.00
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56707592
6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271579
N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42516856
N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290122
N-(4-fluorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271703
6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290172
6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271756
methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate
CID 42457098
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42147819
N-(4-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271771
6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270471
N-(3-chloro-2-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270429

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc([C@H](C)NC(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)n[nH]1.
What is the InChIKey of 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?
The InChIKey is KTTFVGGUFBNTHM-VIFPVBQESA-N. The full InChI is InChI=1S/C18H15F3N6OS/c1-9(15-23-10(2)25-26-15)22-16(28)14-8-29-17-24-13(7-27(14)17)11-3-5-12(6-4-11)18(19,20)21/h3-9H,1-2H3,(H,22,28)(H,23,25,26)/t9-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 420.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 95188658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).