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

C12H17N5OS2 — CID 43250570

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nc(N)sc1SCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C12H17N5OS2/c1-6-10(8(3)17(4)16-6)15-9(18)5-19-11-7(2)14-12(13)20-11/h5H2,1-4H3,(H2,13,14)(H,15,18)
InChIKeyCTDQVNJBFZMBCF-UHFFFAOYSA-N
MW311.44 g/mol
LogP2.11
Rot. Bonds4

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

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 43250570) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID43250570
Molecular FormulaC12H17N5OS2
Molecular Weight311.44 g/mol
Exact Mass311.09
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nc(N)sc1SCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C12H17N5OS2/c1-6-10(8(3)17(4)16-6)15-9(18)5-19-11-7(2)14-12(13)20-11/h5H2,1-4H3,(H2,13,14)(H,15,18)
InChIKeyCTDQVNJBFZMBCF-UHFFFAOYSA-N
XLogP2.11
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 43250570) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nc(N)sc1SCC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is CTDQVNJBFZMBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-6-10(8(3)17(4)16-6)15-9(18)5-19-11-7(2)14-12(13)20-11/h5H2,1-4H3,(H2,13,14)(H,15,18).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 311.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 43250570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).