N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide

C14H19F3N2OS — CID 59866169

IUPACN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)C(F)(F)F)n1CC1CC1
InChIInChI=1S/C14H19F3N2OS/c1-8-10(13(2,3)4)21-12(18-11(20)14(15,16)17)19(8)7-9-5-6-9/h9H,5-7H2,1-4H3/b18-12-
InChIKeyHPQVWTHBBFGQEJ-PDGQHHTCSA-N
MW320.38 g/mol
LogP3.56
Rot. Bonds2

About N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide (PubChem CID 59866169) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide
PubChem CID59866169
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)C(F)(F)F)n1CC1CC1
InChIInChI=1S/C14H19F3N2OS/c1-8-10(13(2,3)4)21-12(18-11(20)14(15,16)17)19(8)7-9-5-6-9/h9H,5-7H2,1-4H3/b18-12-
InChIKeyHPQVWTHBBFGQEJ-PDGQHHTCSA-N
XLogP3.56
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide (CID 59866169) is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide is Cc1c(C(C)(C)C)s/c(=N\C(=O)C(F)(F)F)n1CC1CC1.
What is the InChIKey of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide?
The InChIKey is HPQVWTHBBFGQEJ-PDGQHHTCSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-8-10(13(2,3)4)21-12(18-11(20)14(15,16)17)19(8)7-9-5-6-9/h9H,5-7H2,1-4H3/b18-12-.
What are the key properties of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide?
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide has a molecular weight of 320.38 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59866169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).