N-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C9H11F3N2OS — CID 170028136

IUPACN-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(F)(F)F)c(C(C)C)s1
InChIInChI=1S/C9H11F3N2OS/c1-4(2)6-7(9(10,11)12)14-8(16-6)13-5(3)15/h4H,1-3H3,(H,13,14,15)
InChIKeyUIVLJDCTCJCHNK-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.24
Rot. Bonds2

About N-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

N-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 170028136) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is N-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID170028136
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC NameN-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(F)(F)F)c(C(C)C)s1
InChIInChI=1S/C9H11F3N2OS/c1-4(2)6-7(9(10,11)12)14-8(16-6)13-5(3)15/h4H,1-3H3,(H,13,14,15)
InChIKeyUIVLJDCTCJCHNK-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 170028136) is N-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(F)(F)F)c(C(C)C)s1.
What is the InChIKey of N-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UIVLJDCTCJCHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-4(2)6-7(9(10,11)12)14-8(16-6)13-5(3)15/h4H,1-3H3,(H,13,14,15).
What are the key properties of N-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
N-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 252.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 170028136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).