2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide

C8H9F3N2O2S — CID 103723155

IUPAC2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(O)C(F)(F)F)s1
InChIInChI=1S/C8H9F3N2O2S/c1-4-12-2-5(16-4)7(15)13-3-6(14)8(9,10)11/h2,6,14H,3H2,1H3,(H,13,15)
InChIKeyMYQJDTWPDCPHJV-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.10
Rot. Bonds3

About 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide

2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide (PubChem CID 103723155) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide
PubChem CID103723155
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(O)C(F)(F)F)s1
InChIInChI=1S/C8H9F3N2O2S/c1-4-12-2-5(16-4)7(15)13-3-6(14)8(9,10)11/h2,6,14H,3H2,1H3,(H,13,15)
InChIKeyMYQJDTWPDCPHJV-UHFFFAOYSA-N
XLogP1.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 126793620
N-[(3,3-difluorocyclobutyl)methyl]-2-[(1S)-1-ethoxyethyl]-1,3-thiazole-5-carboxamide
CID 164633307
N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 20060258
2-[[2-(Trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]ethyl nitrate
CID 20060289
2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 58458786
N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 68738967
2-(Azetidin-3-yloxy)-1,3-thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166747223
N-methyl-2-(oxiran-2-yl)-1,3-thiazole-5-carboxamide
CID 176431686
2-tert-butyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 56070525
1,1,1-Trifluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 61530214
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 86836357
2-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 86843633

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide (CID 103723155) is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NCC(O)C(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MYQJDTWPDCPHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-4-12-2-5(16-4)7(15)13-3-6(14)8(9,10)11/h2,6,14H,3H2,1H3,(H,13,15).
What are the key properties of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 254.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103723155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).