N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C17H17N5O2S — CID 97266880

IUPACN-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)Nc1n[nH]c([C@@H]2CCCO2)n1
InChIInChI=1S/C17H17N5O2S/c23-14(19-17-20-15(21-22-17)13-7-4-8-24-13)9-12-10-25-16(18-12)11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2,(H2,19,20,21,22,23)/t13-/m0/s1
InChIKeyPPIUROVJZHXENE-ZDUSSCGKSA-N
MW355.42 g/mol
LogP2.96
Rot. Bonds5

About N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 97266880) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID97266880
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)Nc1n[nH]c([C@@H]2CCCO2)n1
InChIInChI=1S/C17H17N5O2S/c23-14(19-17-20-15(21-22-17)13-7-4-8-24-13)9-12-10-25-16(18-12)11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2,(H2,19,20,21,22,23)/t13-/m0/s1
InChIKeyPPIUROVJZHXENE-ZDUSSCGKSA-N
XLogP2.96
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 30661838
2-(2-phenyl-1,3-thiazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 23610169
N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 98284648
N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155917637
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
N-(2,3-dichlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2100218
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 71703140
N-(5-phenyl-2-pyridinyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55952825
methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 4794716

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 97266880) is N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccc2)n1)Nc1n[nH]c([C@@H]2CCCO2)n1.
What is the InChIKey of N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PPIUROVJZHXENE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-14(19-17-20-15(21-22-17)13-7-4-8-24-13)9-12-10-25-16(18-12)11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2,(H2,19,20,21,22,23)/t13-/m0/s1.
What are the key properties of N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 97266880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).