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

C13H12F3N5OS — CID 70758139

IUPACN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)c1cn2ccsc2n1
InChIInChI=1S/C13H12F3N5OS/c1-8-6-10(13(14,15)16)19-21(8)3-2-17-11(22)9-7-20-4-5-23-12(20)18-9/h4-7H,2-3H2,1H3,(H,17,22)
InChIKeyZYMSVYXEQDSTNU-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.35
Rot. Bonds4

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

N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 70758139) has the molecular formula C13H12F3N5OS and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID70758139
Molecular FormulaC13H12F3N5OS
Molecular Weight343.33 g/mol
Exact Mass343.07
IUPAC NameN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)c1cn2ccsc2n1
InChIInChI=1S/C13H12F3N5OS/c1-8-6-10(13(14,15)16)19-21(8)3-2-17-11(22)9-7-20-4-5-23-12(20)18-9/h4-7H,2-3H2,1H3,(H,17,22)
InChIKeyZYMSVYXEQDSTNU-UHFFFAOYSA-N
XLogP2.35
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 70758139) is N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is Cc1cc(C(F)(F)F)nn1CCNC(=O)c1cn2ccsc2n1.
What is the InChIKey of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is ZYMSVYXEQDSTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5OS/c1-8-6-10(13(14,15)16)19-21(8)3-2-17-11(22)9-7-20-4-5-23-12(20)18-9/h4-7H,2-3H2,1H3,(H,17,22).
What are the key properties of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 343.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 70758139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).