3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide

C15H16F3N3O2S — CID 134024210

IUPAC3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O2S/c1-9-12(14(19-2)24-21-9)13(22)20-7-10-3-5-11(6-4-10)23-8-15(16,17)18/h3-6,19H,7-8H2,1-2H3,(H,20,22)
InChIKeyRKGSALROCLNMHQ-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.36
Rot. Bonds6

About 3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide

3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide (PubChem CID 134024210) has the molecular formula C15H16F3N3O2S and a molecular weight of 359.37 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide
PubChem CID134024210
Molecular FormulaC15H16F3N3O2S
Molecular Weight359.37 g/mol
Exact Mass359.09
IUPAC Name3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O2S/c1-9-12(14(19-2)24-21-9)13(22)20-7-10-3-5-11(6-4-10)23-8-15(16,17)18/h3-6,19H,7-8H2,1-2H3,(H,20,22)
InChIKeyRKGSALROCLNMHQ-UHFFFAOYSA-N
XLogP3.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119701626
N-[(3-butoxyphenyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 60517443
[3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 71888022
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 34660130
3-methyl-5-(methylamino)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 32918468
6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 174836862
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27451351
3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide
CID 71881904
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide
CID 27449178
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide (CID 134024210) is 3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is RKGSALROCLNMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S/c1-9-12(14(19-2)24-21-9)13(22)20-7-10-3-5-11(6-4-10)23-8-15(16,17)18/h3-6,19H,7-8H2,1-2H3,(H,20,22).
What are the key properties of 3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide?
3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 359.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 134024210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).