N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide

C21H21ClN2O4S — CID 52559723

IUPACN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)c(OC)c1OC
InChIInChI=1S/C21H21ClN2O4S/c1-12-5-6-13(10-16(12)22)9-14-11-23-21(29-14)24-20(25)15-7-8-17(26-2)19(28-4)18(15)27-3/h5-8,10-11H,9H2,1-4H3,(H,23,24,25)
InChIKeyBILDSXXRCDUFQX-UHFFFAOYSA-N
MW432.93 g/mol
LogP4.97
Rot. Bonds7

About N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide

N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide (PubChem CID 52559723) has the molecular formula C21H21ClN2O4S and a molecular weight of 432.93 g/mol. Its IUPAC name is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide
PubChem CID52559723
Molecular FormulaC21H21ClN2O4S
Molecular Weight432.93 g/mol
Exact Mass432.09
IUPAC NameN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)c(OC)c1OC
InChIInChI=1S/C21H21ClN2O4S/c1-12-5-6-13(10-16(12)22)9-14-11-23-21(29-14)24-20(25)15-7-8-17(26-2)19(28-4)18(15)27-3/h5-8,10-11H,9H2,1-4H3,(H,23,24,25)
InChIKeyBILDSXXRCDUFQX-UHFFFAOYSA-N
XLogP4.97
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 46536911
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 30685113
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide
CID 112766840
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 42027870
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 18827803
2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 55538156
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488306
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide
CID 46535722
2,3-dimethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 24575784
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3497765
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide
CID 126800396
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 24575757

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide (CID 52559723) is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)c(OC)c1OC.
What is the InChIKey of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide?
The InChIKey is BILDSXXRCDUFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4S/c1-12-5-6-13(10-16(12)22)9-14-11-23-21(29-14)24-20(25)15-7-8-17(26-2)19(28-4)18(15)27-3/h5-8,10-11H,9H2,1-4H3,(H,23,24,25).
What are the key properties of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide?
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide has a molecular weight of 432.93 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 52559723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).