2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide

C17H15F3N4O2S — CID 2796041

IUPAC2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide
SMILESCc1oc(-c2cccs2)cc1C(=O)NCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C17H15F3N4O2S/c1-10-11(9-12(26-10)13-3-2-8-27-13)15(25)21-6-7-23-16-22-5-4-14(24-16)17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,25)(H,22,23,24)
InChIKeySCEBKPISLMNBKV-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.97
Rot. Bonds6

About 2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide

2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide (PubChem CID 2796041) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is 2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide
PubChem CID2796041
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC Name2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide
SMILESCc1oc(-c2cccs2)cc1C(=O)NCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C17H15F3N4O2S/c1-10-11(9-12(26-10)13-3-2-8-27-13)15(25)21-6-7-23-16-22-5-4-14(24-16)17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,25)(H,22,23,24)
InChIKeySCEBKPISLMNBKV-UHFFFAOYSA-N
XLogP3.97
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide
CID 44528595
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 137539649
N-(4-methoxyphenethyl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414446
N-(6-methoxy-3-thiophen-3-ylpyrazin-2-yl)-2,5-dimethylfuran-3-carboxamide
CID 172437516
2,5-dimethyl-N-{[2-(thiophen-3-yl)pyridin-4-yl]methyl}furan-3-carboxamide
CID 91625605
5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 11537999
5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 59849656
5-[6-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 89868731
N-[1-[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 137538895
1-(2,5-dimethylfuran-3-yl)-2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]ethanone
CID 163521061
2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone
CID 163917354
2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone
CID 164140787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide (CID 2796041) is 2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide is Cc1oc(-c2cccs2)cc1C(=O)NCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide?
The InChIKey is SCEBKPISLMNBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c1-10-11(9-12(26-10)13-3-2-8-27-13)15(25)21-6-7-23-16-22-5-4-14(24-16)17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide?
2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide has a molecular weight of 396.39 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 2796041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).