N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H16F3N5OS — CID 42147819

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C19H16F3N5OS/c1-25(8-12-7-23-26(2)9-12)17(28)16-11-29-18-24-15(10-27(16)18)13-3-5-14(6-4-13)19(20,21)22/h3-7,9-11H,8H2,1-2H3
InChIKeyGWEHOQAYXPRCAQ-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.09
Rot. Bonds4

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42147819) has the molecular formula C19H16F3N5OS and a molecular weight of 419.43 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42147819
Molecular FormulaC19H16F3N5OS
Molecular Weight419.43 g/mol
Exact Mass419.10
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C19H16F3N5OS/c1-25(8-12-7-23-26(2)9-12)17(28)16-11-29-18-24-15(10-27(16)18)13-3-5-14(6-4-13)19(20,21)22/h3-7,9-11H,8H2,1-2H3
InChIKeyGWEHOQAYXPRCAQ-UHFFFAOYSA-N
XLogP4.09
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42147819) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is GWEHOQAYXPRCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5OS/c1-25(8-12-7-23-26(2)9-12)17(28)16-11-29-18-24-15(10-27(16)18)13-3-5-14(6-4-13)19(20,21)22/h3-7,9-11H,8H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42147819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).