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

C17H17N3OS2 — CID 26362303

IUPAC2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C17H17N3OS2/c1-10-4-6-13(7-5-10)16-14(23-12(3)19-16)8-15(21)20-17-18-11(2)9-22-17/h4-7,9H,8H2,1-3H3,(H,18,20,21)
InChIKeyDTYPJWJIKLMDID-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.37
Rot. Bonds4

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

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 26362303) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID26362303
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C17H17N3OS2/c1-10-4-6-13(7-5-10)16-14(23-12(3)19-16)8-15(21)20-17-18-11(2)9-22-17/h4-7,9H,8H2,1-3H3,(H,18,20,21)
InChIKeyDTYPJWJIKLMDID-UHFFFAOYSA-N
XLogP4.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26915494
N-[4-(methylcarbamoylamino)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 46603407
N-(2-fluoro-5-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26881825
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 4857721
N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26736483
N-(3-fluoro-4-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26415642
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(3-nitrophenyl)acetamide
CID 26574704
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide
CID 29435290
N-benzyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2461104
methyl 4-[[5-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
CID 2422036
N-(2-ethoxyphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26736248
2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide
CID 55729692

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 26362303) is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(-c2nc(C)sc2CC(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DTYPJWJIKLMDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-10-4-6-13(7-5-10)16-14(23-12(3)19-16)8-15(21)20-17-18-11(2)9-22-17/h4-7,9H,8H2,1-3H3,(H,18,20,21).
What are the key properties of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 343.48 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 26362303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).