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

C17H17N3OS2 — CID 38162050

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CCNC(=O)Cc2csc(-c3ccccc3)n2)cs1
InChIInChI=1S/C17H17N3OS2/c1-12-19-14(10-22-12)7-8-18-16(21)9-15-11-23-17(20-15)13-5-3-2-4-6-13/h2-6,10-11H,7-9H2,1H3,(H,18,21)
InChIKeyTWKYVPYSLZBBNT-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.48
Rot. Bonds6

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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 38162050) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID38162050
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CCNC(=O)Cc2csc(-c3ccccc3)n2)cs1
InChIInChI=1S/C17H17N3OS2/c1-12-19-14(10-22-12)7-8-18-16(21)9-15-11-23-17(20-15)13-5-3-2-4-6-13/h2-6,10-11H,7-9H2,1H3,(H,18,21)
InChIKeyTWKYVPYSLZBBNT-UHFFFAOYSA-N
XLogP3.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 103932658
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid
CID 43665653
4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119266976
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568239
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2579290
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 51201922

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 38162050) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CCNC(=O)Cc2csc(-c3ccccc3)n2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is TWKYVPYSLZBBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-12-19-14(10-22-12)7-8-18-16(21)9-15-11-23-17(20-15)13-5-3-2-4-6-13/h2-6,10-11H,7-9H2,1H3,(H,18,21).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 343.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 38162050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).