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

C20H19ClN2O4S — CID 45269205

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1OCCO
InChIInChI=1S/C20H19ClN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25)
InChIKeySMKHSRSPGAGESW-UHFFFAOYSA-N
MW418.90 g/mol
LogP4.02
Rot. Bonds8

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

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide (PubChem CID 45269205) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
PubChem CID45269205
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1OCCO
InChIInChI=1S/C20H19ClN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25)
InChIKeySMKHSRSPGAGESW-UHFFFAOYSA-N
XLogP4.02
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide (CID 45269205) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1OCCO.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
The InChIKey is SMKHSRSPGAGESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide has a molecular weight of 418.90 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide is sourced from PubChem (CID 45269205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).