N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide

C20H18ClFN2O4S — CID 44602491

IUPACN-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(Cl)c3)s2)cc1OCCO
InChIInChI=1S/C20H18ClFN2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-16(22)15(21)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
InChIKeyIXAHGCSQQMXJED-UHFFFAOYSA-N
MW436.89 g/mol
LogP4.16
Rot. Bonds8

About N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide

N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide (PubChem CID 44602491) has the molecular formula C20H18ClFN2O4S and a molecular weight of 436.89 g/mol. Its IUPAC name is N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
PubChem CID44602491
Molecular FormulaC20H18ClFN2O4S
Molecular Weight436.89 g/mol
Exact Mass436.07
IUPAC NameN-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(Cl)c3)s2)cc1OCCO
InChIInChI=1S/C20H18ClFN2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-16(22)15(21)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
InChIKeyIXAHGCSQQMXJED-UHFFFAOYSA-N
XLogP4.16
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.89
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide with MolForge

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Related Compounds

N-(5-(3-chlorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45269205
N-(5-(3,4-dichlorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45270080
3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 45270685
N-(5-(3,5-difluorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45270906
N-(5-(3,5-dichlorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45271744
N-(5-(3,5-bis(trifluoromethyl)benzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45272403
N-(5-(4-fluoro-3-(trifluoromethyl)benzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45272620
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8195301
3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 44250031
3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluoromethoxy)benzyl)thiazol-2-yl)benzamide
CID 45267479
4-(2-hydroxyethoxy)-3-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 45267558
N-(5-(3-fluoro-4-methylbenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45268354

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
The IUPAC name of N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide (CID 44602491) is N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
The canonical SMILES for N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(Cl)c3)s2)cc1OCCO.
What is the InChIKey of N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
The InChIKey is IXAHGCSQQMXJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-16(22)15(21)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26).
What are the key properties of N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide has a molecular weight of 436.89 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide is sourced from PubChem (CID 44602491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).