N-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C13H19F3N2OS — CID 100753849

IUPACN-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncc(C(=O)N(CC(F)(F)F)C(C)(C)C)s1
InChIInChI=1S/C13H19F3N2OS/c1-8(2)10-17-6-9(20-10)11(19)18(12(3,4)5)7-13(14,15)16/h6,8H,7H2,1-5H3
InChIKeyKKBDOWAQMHOCNJ-UHFFFAOYSA-N
MW308.37 g/mol
LogP4.07
Rot. Bonds3

About N-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

N-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 100753849) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID100753849
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC NameN-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncc(C(=O)N(CC(F)(F)F)C(C)(C)C)s1
InChIInChI=1S/C13H19F3N2OS/c1-8(2)10-17-6-9(20-10)11(19)18(12(3,4)5)7-13(14,15)16/h6,8H,7H2,1-5H3
InChIKeyKKBDOWAQMHOCNJ-UHFFFAOYSA-N
XLogP4.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 100753849) is N-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is CC(C)c1ncc(C(=O)N(CC(F)(F)F)C(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KKBDOWAQMHOCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-8(2)10-17-6-9(20-10)11(19)18(12(3,4)5)7-13(14,15)16/h6,8H,7H2,1-5H3.
What are the key properties of N-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
N-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 100753849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).