2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide

C16H11F3N2O2S — CID 6492553

IUPAC2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCc1oc(-c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1nccs1
InChIInChI=1S/C16H11F3N2O2S/c1-9-12(14(22)21-15-20-5-6-24-15)8-13(23-9)10-3-2-4-11(7-10)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKeyBPZODYNOGCTFMX-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.98
Rot. Bonds3

About 2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide

2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide (PubChem CID 6492553) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
PubChem CID6492553
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCc1oc(-c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1nccs1
InChIInChI=1S/C16H11F3N2O2S/c1-9-12(14(22)21-15-20-5-6-24-15)8-13(23-9)10-3-2-4-11(7-10)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKeyBPZODYNOGCTFMX-UHFFFAOYSA-N
XLogP4.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 1249045
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
2-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 652520
2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide
CID 17361260
2-methyl-N-(1,3-thiazol-2-yl)furan-3-carboxamide
CID 874518
3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 3155704
4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 2053510
2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2787065
3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 659730
3-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 4221665
N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 750965
(5Z)-5-{[5-(2,4-difluorophenyl)furan-2-yl]methylidene}-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 1255762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide (CID 6492553) is 2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide is Cc1oc(-c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1nccs1.
What is the InChIKey of 2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The InChIKey is BPZODYNOGCTFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c1-9-12(14(22)21-15-20-5-6-24-15)8-13(23-9)10-3-2-4-11(7-10)16(17,18)19/h2-8H,1H3,(H,20,21,22).
What are the key properties of 2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide has a molecular weight of 352.34 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 6492553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).