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

C16H14F3N3OS — CID 134798391

IUPACN-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCC(C)NC(=O)c1cn2cc(-c3ccc(C(F)(F)F)cc3)sc2n1
InChIInChI=1S/C16H14F3N3OS/c1-9(2)20-14(23)12-7-22-8-13(24-15(22)21-12)10-3-5-11(6-4-10)16(17,18)19/h3-9H,1-2H3,(H,20,23)
InChIKeyFWXFXXHTGRJKBC-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.22
Rot. Bonds3

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

N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134798391) has the molecular formula C16H14F3N3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134798391
Molecular FormulaC16H14F3N3OS
Molecular Weight353.37 g/mol
Exact Mass353.08
IUPAC NameN-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCC(C)NC(=O)c1cn2cc(-c3ccc(C(F)(F)F)cc3)sc2n1
InChIInChI=1S/C16H14F3N3OS/c1-9(2)20-14(23)12-7-22-8-13(24-15(22)21-12)10-3-5-11(6-4-10)16(17,18)19/h3-9H,1-2H3,(H,20,23)
InChIKeyFWXFXXHTGRJKBC-UHFFFAOYSA-N
XLogP4.22
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134798391) is N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is CC(C)NC(=O)c1cn2cc(-c3ccc(C(F)(F)F)cc3)sc2n1.
What is the InChIKey of N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is FWXFXXHTGRJKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3OS/c1-9(2)20-14(23)12-7-22-8-13(24-15(22)21-12)10-3-5-11(6-4-10)16(17,18)19/h3-9H,1-2H3,(H,20,23).
What are the key properties of N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134798391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).