2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

C18H12F2N4O2S — CID 56848353

IUPAC2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2ccco2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C18H12F2N4O2S/c1-24-13(8-12(23-24)14-6-3-7-26-14)15-9-21-18(27-15)22-17(25)16-10(19)4-2-5-11(16)20/h2-9H,1H3,(H,21,22,25)
InChIKeyYZVQEQGOSLGHHA-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.33
Rot. Bonds4

About 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 56848353) has the molecular formula C18H12F2N4O2S and a molecular weight of 386.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID56848353
Molecular FormulaC18H12F2N4O2S
Molecular Weight386.38 g/mol
Exact Mass386.06
IUPAC Name2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2ccco2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C18H12F2N4O2S/c1-24-13(8-12(23-24)14-6-3-7-26-14)15-9-21-18(27-15)22-17(25)16-10(19)4-2-5-11(16)20/h2-9H,1H3,(H,21,22,25)
InChIKeyYZVQEQGOSLGHHA-UHFFFAOYSA-N
XLogP4.33
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-{[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio}-N-[1-(2-methylbenzyl)-1H-pyrazol-3-yl]propanamide
CID 1164869
3-{[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio}-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]propanamide
CID 2219259
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide
CID 3148158
N-(3-fluoro-2-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062163
N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062385
N-(1-Ethyl-5-methyl-1H-pyrazol-4-ylmethyl)-3-(4-furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-propionamide
CID 1164866
N-(1-Ethyl-1H-pyrazol-4-ylmethyl)-3-(4-furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-propionamide
CID 3148116
(E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 17491683
N-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide
CID 3148157
4-Pyridinecarboxamide,n-[4-(2-furanyl)-5-(4-pyridinyl)-2-thiazolyl]-
CID 23144095
N-(4-(benzofuran-2-yl)thiazol-2-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 16952894
1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide
CID 25284660

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 56848353) is 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is Cn1nc(-c2ccco2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1.
What is the InChIKey of 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is YZVQEQGOSLGHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2S/c1-24-13(8-12(23-24)14-6-3-7-26-14)15-9-21-18(27-15)22-17(25)16-10(19)4-2-5-11(16)20/h2-9H,1H3,(H,21,22,25).
What are the key properties of 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 386.38 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56848353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).