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

C17H17N3OS2 — CID 51100707

IUPAC4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CCNC(=O)c2ccc(-c3nc(C)cs3)cc2)n1
InChIInChI=1S/C17H17N3OS2/c1-11-9-22-15(19-11)7-8-18-16(21)13-3-5-14(6-4-13)17-20-12(2)10-23-17/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)
InChIKeyUTHCGCKEMVUVHW-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.86
Rot. Bonds5

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

4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 51100707) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID51100707
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CCNC(=O)c2ccc(-c3nc(C)cs3)cc2)n1
InChIInChI=1S/C17H17N3OS2/c1-11-9-22-15(19-11)7-8-18-16(21)13-3-5-14(6-4-13)17-20-12(2)10-23-17/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)
InChIKeyUTHCGCKEMVUVHW-UHFFFAOYSA-N
XLogP3.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide with MolForge

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Related Compounds

4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
4-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112705731
4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 82546122
3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103706683
4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287449
3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238860
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
2-amino-6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238942
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702374
4-(dimethylamino)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 47093407
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 113286157

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 51100707) is 4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1csc(CCNC(=O)c2ccc(-c3nc(C)cs3)cc2)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is UTHCGCKEMVUVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-11-9-22-15(19-11)7-8-18-16(21)13-3-5-14(6-4-13)17-20-12(2)10-23-17/h3-6,9-10H,7-8H2,1-2H3,(H,18,21).
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 343.48 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 51100707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).