N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide

C16H17N5OS — CID 71979833

IUPACN-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCc1cccc(C)c1NC(=O)Cc1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C16H17N5OS/c1-3-11-6-4-5-10(2)14(11)20-13(22)7-12-8-23-16(19-12)15-17-9-18-21-15/h4-6,8-9H,3,7H2,1-2H3,(H,20,22)(H,17,18,21)
InChIKeyPIVKEYCSSMGVAO-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.98
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide

N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 71979833) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID71979833
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCc1cccc(C)c1NC(=O)Cc1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C16H17N5OS/c1-3-11-6-4-5-10(2)14(11)20-13(22)7-12-8-23-16(19-12)15-17-9-18-21-15/h4-6,8-9H,3,7H2,1-2H3,(H,20,22)(H,17,18,21)
InChIKeyPIVKEYCSSMGVAO-UHFFFAOYSA-N
XLogP2.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
CID 56784265
2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9153801
N-(2-ethyl-6-methylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110857953
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
CID 95338902
N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 18194371
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16561751
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 27760643
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16560695
N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 2603904
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 62796221

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide (CID 71979833) is N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide is CCc1cccc(C)c1NC(=O)Cc1csc(-c2ncn[nH]2)n1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is PIVKEYCSSMGVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-3-11-6-4-5-10(2)14(11)20-13(22)7-12-8-23-16(19-12)15-17-9-18-21-15/h4-6,8-9H,3,7H2,1-2H3,(H,20,22)(H,17,18,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 71979833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).