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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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).