N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide

C24H25FN2O5S — CID 3189697

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(CC2CCCO2)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC
InChIInChI=1S/C24H25FN2O5S/c1-29-20-11-16(12-21(30-2)22(20)31-3)23(28)27(13-18-5-4-10-32-18)24-26-19(14-33-24)15-6-8-17(25)9-7-15/h6-9,11-12,14,18H,4-5,10,13H2,1-3H3
InChIKeyHAYPEPMXEFLEBE-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.80
Rot. Bonds8

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3189697) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3189697
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(CC2CCCO2)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC
InChIInChI=1S/C24H25FN2O5S/c1-29-20-11-16(12-21(30-2)22(20)31-3)23(28)27(13-18-5-4-10-32-18)24-26-19(14-33-24)15-6-8-17(25)9-7-15/h6-9,11-12,14,18H,4-5,10,13H2,1-3H3
InChIKeyHAYPEPMXEFLEBE-UHFFFAOYSA-N
XLogP4.80
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-Trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173542
Ethyl 2-(3,4,5-trimethoxybenzamido)thiazole-4-carboxylate
CID 1359240
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 2469116
3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 5191473
4-methoxy-N-methyl-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 73670187
3,4,5-trimethoxy-N-methyl-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 73670190
2,3-dimethoxy-N-methyl-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 73670361
3-methoxy-N-methyl-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 73670363
3,4,5-trimethoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 1547871
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2109084
N-[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2486995
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2671893

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide (CID 3189697) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide is COc1cc(C(=O)N(CC2CCCO2)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is HAYPEPMXEFLEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-29-20-11-16(12-21(30-2)22(20)31-3)23(28)27(13-18-5-4-10-32-18)24-26-19(14-33-24)15-6-8-17(25)9-7-15/h6-9,11-12,14,18H,4-5,10,13H2,1-3H3.
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 472.54 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3189697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).