4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide

C19H17F3N4OS — CID 55617594

IUPAC4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H17F3N4OS/c1-12-16(28-18(26-12)13-5-3-2-4-6-13)17(27)24-10-9-23-15-8-7-14(11-25-15)19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,25)(H,24,27)
InChIKeyYWTVQTSLUBVAPN-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.37
Rot. Bonds6

About 4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide

4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 55617594) has the molecular formula C19H17F3N4OS and a molecular weight of 406.43 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID55617594
Molecular FormulaC19H17F3N4OS
Molecular Weight406.43 g/mol
Exact Mass406.11
IUPAC Name4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H17F3N4OS/c1-12-16(28-18(26-12)13-5-3-2-4-6-13)17(27)24-10-9-23-15-8-7-14(11-25-15)19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,25)(H,24,27)
InChIKeyYWTVQTSLUBVAPN-UHFFFAOYSA-N
XLogP4.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122315391
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 78858497
5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
CID 55617719
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485
4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122326307
N-[2-(2-hydroxyphenyl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110427150
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 46542533
4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 29368838
4-methyl-2-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 46470345
4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide
CID 26617409
4-methyl-N-[3-(N-methylanilino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 27746890

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide (CID 55617594) is 4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YWTVQTSLUBVAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4OS/c1-12-16(28-18(26-12)13-5-3-2-4-6-13)17(27)24-10-9-23-15-8-7-14(11-25-15)19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55617594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).