N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

C21H18F2N2O3S — CID 2491296

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C21H18F2N2O3S/c22-17-8-5-14(10-18(17)23)19-12-29-21(24-19)25-20(26)13-3-6-15(7-4-13)28-11-16-2-1-9-27-16/h3-8,10,12,16H,1-2,9,11H2,(H,24,25,26)/t16-/m0/s1
InChIKeyKSIPTGMGRQLTEF-INIZCTEOSA-N
MW416.45 g/mol
LogP4.90
Rot. Bonds6

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 2491296) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
PubChem CID2491296
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C21H18F2N2O3S/c22-17-8-5-14(10-18(17)23)19-12-29-21(24-19)25-20(26)13-3-6-15(7-4-13)28-11-16-2-1-9-27-16/h3-8,10,12,16H,1-2,9,11H2,(H,24,25,26)/t16-/m0/s1
InChIKeyKSIPTGMGRQLTEF-INIZCTEOSA-N
XLogP4.90
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 18272025
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8565270
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide
CID 16820846
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55341353
(2S)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 41119231
(2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 41119232
4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 30254308

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 2491296) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is KSIPTGMGRQLTEF-INIZCTEOSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c22-17-8-5-14(10-18(17)23)19-12-29-21(24-19)25-20(26)13-3-6-15(7-4-13)28-11-16-2-1-9-27-16/h3-8,10,12,16H,1-2,9,11H2,(H,24,25,26)/t16-/m0/s1.
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 416.45 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 2491296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).