N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide

C19H18N2O2S — CID 127046697

IUPACN-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESCOc1cccc(-c2csc(CCNC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C19H18N2O2S/c1-23-16-9-5-8-15(12-16)17-13-24-18(21-17)10-11-20-19(22)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,20,22)
InChIKeyJGCBRHICRXOQNR-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.79
Rot. Bonds6

About N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide

N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide (PubChem CID 127046697) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
PubChem CID127046697
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESCOc1cccc(-c2csc(CCNC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C19H18N2O2S/c1-23-16-9-5-8-15(12-16)17-13-24-18(21-17)10-11-20-19(22)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,20,22)
InChIKeyJGCBRHICRXOQNR-UHFFFAOYSA-N
XLogP3.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 892238
2-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 2738815
2-(3-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2796264
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
4-[2-[4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]thiazol-4-yl]benzonitrile
CID 71505357
N-[4-[(3-Methoxybenzoyl)amino]phenyl]-4-thiazolecarboxamide
CID 90144326
LCL161-O-Me
CID 138377561
N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 891670
N-[4-(1,3-benzothiazol-2-yl)benzyl]-3-methoxybenzamide
CID 979776
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2121321

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide (CID 127046697) is N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide is COc1cccc(-c2csc(CCNC(=O)c3ccccc3)n2)c1.
What is the InChIKey of N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The InChIKey is JGCBRHICRXOQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-23-16-9-5-8-15(12-16)17-13-24-18(21-17)10-11-20-19(22)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,20,22).
What are the key properties of N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide has a molecular weight of 338.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 127046697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).