N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C10H13F3N2OS — CID 55145555

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1cscn1
InChIInChI=1S/C10H13F3N2OS/c1-7(2)3-15(5-10(11,12)13)9(16)8-4-17-6-14-8/h4,6-7H,3,5H2,1-2H3
InChIKeyDTOKMALJUHHLAQ-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.80
Rot. Bonds4

About N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 55145555) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID55145555
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1cscn1
InChIInChI=1S/C10H13F3N2OS/c1-7(2)3-15(5-10(11,12)13)9(16)8-4-17-6-14-8/h4,6-7H,3,5H2,1-2H3
InChIKeyDTOKMALJUHHLAQ-UHFFFAOYSA-N
XLogP2.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 55145555) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)c1cscn1.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DTOKMALJUHHLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-7(2)3-15(5-10(11,12)13)9(16)8-4-17-6-14-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 266.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55145555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).