(5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione

C12H14N6O2S — CID 97202109

IUPAC(5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
SMILESCCn1nc(-c2csc(C)n2)nc1C[C@H]1NC(=O)NC1=O
InChIInChI=1S/C12H14N6O2S/c1-3-18-9(4-7-11(19)16-12(20)14-7)15-10(17-18)8-5-21-6(2)13-8/h5,7H,3-4H2,1-2H3,(H2,14,16,19,20)/t7-/m1/s1
InChIKeyGTTJNAOCLSIAPT-SSDOTTSWSA-N
MW306.35 g/mol
LogP0.48
Rot. Bonds4

About (5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione

(5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione (PubChem CID 97202109) has the molecular formula C12H14N6O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is (5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
PubChem CID97202109
Molecular FormulaC12H14N6O2S
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC Name(5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
SMILESCCn1nc(-c2csc(C)n2)nc1C[C@H]1NC(=O)NC1=O
InChIInChI=1S/C12H14N6O2S/c1-3-18-9(4-7-11(19)16-12(20)14-7)15-10(17-18)8-5-21-6(2)13-8/h5,7H,3-4H2,1-2H3,(H2,14,16,19,20)/t7-/m1/s1
InChIKeyGTTJNAOCLSIAPT-SSDOTTSWSA-N
XLogP0.48
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione (CID 97202109) is (5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione is CCn1nc(-c2csc(C)n2)nc1C[C@H]1NC(=O)NC1=O.
What is the InChIKey of (5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is GTTJNAOCLSIAPT-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14N6O2S/c1-3-18-9(4-7-11(19)16-12(20)14-7)15-10(17-18)8-5-21-6(2)13-8/h5,7H,3-4H2,1-2H3,(H2,14,16,19,20)/t7-/m1/s1.
What are the key properties of (5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
(5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 306.35 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97202109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).