N-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide

C18H14F3N3O2S — CID 24983663

IUPACN-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(C(F)(F)F)cc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H14F3N3O2S/c1-11-15(16(26)22-10-12-5-3-2-4-6-12)27-17(23-11)24-8-7-13(9-14(24)25)18(19,20)21/h2-9H,10H2,1H3,(H,22,26)
InChIKeyKFNLQPPLNYTFSC-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.55
Rot. Bonds4

About N-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide

N-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 24983663) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID24983663
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC NameN-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(C(F)(F)F)cc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H14F3N3O2S/c1-11-15(16(26)22-10-12-5-3-2-4-6-12)27-17(23-11)24-8-7-13(9-14(24)25)18(19,20)21/h2-9H,10H2,1H3,(H,22,26)
InChIKeyKFNLQPPLNYTFSC-UHFFFAOYSA-N
XLogP3.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(methylcarbamoyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911406
2-[(benzylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911412
2-[(butylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21985432
1-[2-(Benzylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963386
2-(Cyclopropanecarbonyl-amino)-4-methyl-thiazole-5-carboxylic acid o-tolylamide
CID 857264
N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
CID 977380
2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440658
1-[4-Methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone
CID 4880438
{[2-(2-Fluoro-benzoylamino)-4-methyl-thiazole-5-carbonyl]-amino}-acetic acid ethyl ester
CID 655688
{[2-(3-Fluoro-benzoylamino)-4-methyl-thiazole-5-carbonyl]-amino}-acetic acid ethyl ester
CID 3193169
N-benzyl-4-methyl-2-(2-oxo-4-phenethylpyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24984128
N-benzyl-4-methyl-2-(2-oxo-4-phenylpyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24984927

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide (CID 24983663) is N-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide is Cc1nc(-n2ccc(C(F)(F)F)cc2=O)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KFNLQPPLNYTFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c1-11-15(16(26)22-10-12-5-3-2-4-6-12)27-17(23-11)24-8-7-13(9-14(24)25)18(19,20)21/h2-9H,10H2,1H3,(H,22,26).
What are the key properties of N-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide?
N-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24983663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).