N-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

C15H11ClF3N3OS — CID 118264306

IUPACN-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3cccc(Cl)c3)c(C(F)(F)F)nc2s1
InChIInChI=1S/C15H11ClF3N3OS/c1-8-7-22-11(12(15(17,18)19)21-14(22)24-8)13(23)20-6-9-3-2-4-10(16)5-9/h2-5,7H,6H2,1H3,(H,20,23)
InChIKeyGRZXHCDPWXQRON-UHFFFAOYSA-N
MW373.79 g/mol
LogP4.31
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 118264306) has the molecular formula C15H11ClF3N3OS and a molecular weight of 373.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID118264306
Molecular FormulaC15H11ClF3N3OS
Molecular Weight373.79 g/mol
Exact Mass373.03
IUPAC NameN-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3cccc(Cl)c3)c(C(F)(F)F)nc2s1
InChIInChI=1S/C15H11ClF3N3OS/c1-8-7-22-11(12(15(17,18)19)21-14(22)24-8)13(23)20-6-9-3-2-4-10(16)5-9/h2-5,7H,6H2,1H3,(H,20,23)
InChIKeyGRZXHCDPWXQRON-UHFFFAOYSA-N
XLogP4.31
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 118264306) is N-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cn2c(C(=O)NCc3cccc(Cl)c3)c(C(F)(F)F)nc2s1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is GRZXHCDPWXQRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3OS/c1-8-7-22-11(12(15(17,18)19)21-14(22)24-8)13(23)20-6-9-3-2-4-10(16)5-9/h2-5,7H,6H2,1H3,(H,20,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 373.79 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118264306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).