2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide

C17H14F3N3O3S — CID 39502796

IUPAC2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O3S/c1-10-14(23-16(27-10)12-3-2-6-25-12)15(24)22-8-11-4-5-21-13(7-11)26-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,22,24)
InChIKeyQIHJZPJWJDROKZ-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.98
Rot. Bonds6

About 2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 39502796) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID39502796
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC Name2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O3S/c1-10-14(23-16(27-10)12-3-2-6-25-12)15(24)22-8-11-4-5-21-13(7-11)26-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,22,24)
InChIKeyQIHJZPJWJDROKZ-UHFFFAOYSA-N
XLogP3.98
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 134054764
2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 55747068
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide
CID 55911461
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
2-(furan-2-yl)-5-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 38430945
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride
CID 120641796
2-(furan-2-yl)-N-(2-methoxyethoxy)-5-methyl-1,3-thiazole-4-carboxamide
CID 79676397
2-(5-fluoro-2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787141
N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 119997754

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide (CID 39502796) is 2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QIHJZPJWJDROKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-10-14(23-16(27-10)12-3-2-6-25-12)15(24)22-8-11-4-5-21-13(7-11)26-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,22,24).
What are the key properties of 2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 397.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 39502796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).