2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide

C20H20N2OS2 — CID 25401259

IUPAC2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
SMILESCSc1ccccc1C(=O)NCCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C20H20N2OS2/c1-14-22-18(13-25-14)16-9-7-15(8-10-16)11-12-21-20(23)17-5-3-4-6-19(17)24-2/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyOUYCRXJMXJWXGM-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.81
Rot. Bonds6

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

2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide (PubChem CID 25401259) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
PubChem CID25401259
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC Name2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
SMILESCSc1ccccc1C(=O)NCCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C20H20N2OS2/c1-14-22-18(13-25-14)16-9-7-15(8-10-16)11-12-21-20(23)17-5-3-4-6-19(17)24-2/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyOUYCRXJMXJWXGM-UHFFFAOYSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55530450
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434413
2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568153
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-nitrobenzamide
CID 16960634
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
2,4-dichloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 108725447
5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide
CID 16599700
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide (CID 25401259) is 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide is CSc1ccccc1C(=O)NCCc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The InChIKey is OUYCRXJMXJWXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c1-14-22-18(13-25-14)16-9-7-15(8-10-16)11-12-21-20(23)17-5-3-4-6-19(17)24-2/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide has a molecular weight of 368.53 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 25401259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).