2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C9H12F3N3OS — CID 62787375

IUPAC2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1csc(N)n1
InChIInChI=1S/C9H12F3N3OS/c1-5(2)15(4-9(10,11)12)7(16)6-3-17-8(13)14-6/h3,5H,4H2,1-2H3,(H2,13,14)
InChIKeyFGOGDLPACZPJQQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.14
Rot. Bonds3

About 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 62787375) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID62787375
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1csc(N)n1
InChIInChI=1S/C9H12F3N3OS/c1-5(2)15(4-9(10,11)12)7(16)6-3-17-8(13)14-6/h3,5H,4H2,1-2H3,(H2,13,14)
InChIKeyFGOGDLPACZPJQQ-UHFFFAOYSA-N
XLogP2.14
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 62787375) is 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is CC(C)N(CC(F)(F)F)C(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FGOGDLPACZPJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-5(2)15(4-9(10,11)12)7(16)6-3-17-8(13)14-6/h3,5H,4H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 267.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62787375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).