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

C9H11F3N2O2S — CID 103915350

IUPACN-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C9H11F3N2O2S/c1-6-13-7(4-17-6)8(16)14(2-3-15)5-9(10,11)12/h4,15H,2-3,5H2,1H3
InChIKeyXITDOICXNKXSEO-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.45
Rot. Bonds4

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

N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 103915350) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID103915350
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC NameN-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C9H11F3N2O2S/c1-6-13-7(4-17-6)8(16)14(2-3-15)5-9(10,11)12/h4,15H,2-3,5H2,1H3
InChIKeyXITDOICXNKXSEO-UHFFFAOYSA-N
XLogP1.45
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 65199061
N-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 102684996
4-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486111
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridazine-3-carboxamide
CID 113339822
N,N-bis(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60653359
N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 110647682
6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 107486181
3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61116148
N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103915507
2,2-difluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 131182360
N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198714
N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63047508

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 103915350) is N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(CCO)CC(F)(F)F)cs1.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XITDOICXNKXSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-6-13-7(4-17-6)8(16)14(2-3-15)5-9(10,11)12/h4,15H,2-3,5H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 268.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103915350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).