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

C10H13F3N2OS — CID 63047507

IUPACN-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cscn1
InChIInChI=1S/C10H13F3N2OS/c1-2-3-4-15(6-10(11,12)13)9(16)8-5-17-7-14-8/h5,7H,2-4,6H2,1H3
InChIKeyBMCNUTGODNRILX-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.95
Rot. Bonds5

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

N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 63047507) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID63047507
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cscn1
InChIInChI=1S/C10H13F3N2OS/c1-2-3-4-15(6-10(11,12)13)9(16)8-5-17-7-14-8/h5,7H,2-4,6H2,1H3
InChIKeyBMCNUTGODNRILX-UHFFFAOYSA-N
XLogP2.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 63047507) is N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1cscn1.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BMCNUTGODNRILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-2-3-4-15(6-10(11,12)13)9(16)8-5-17-7-14-8/h5,7H,2-4,6H2,1H3.
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 266.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63047507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).