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

C13H19N5OS — CID 22196609

IUPAC2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nn(C)c(C)c1CN(C)CC(=O)Nc1nccs1
InChIInChI=1S/C13H19N5OS/c1-9-11(10(2)18(4)16-9)7-17(3)8-12(19)15-13-14-5-6-20-13/h5-6H,7-8H2,1-4H3,(H,14,15,19)
InChIKeyHZJYODXOYXNLOB-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.56
Rot. Bonds5

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

2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 22196609) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID22196609
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nn(C)c(C)c1CN(C)CC(=O)Nc1nccs1
InChIInChI=1S/C13H19N5OS/c1-9-11(10(2)18(4)16-9)7-17(3)8-12(19)15-13-14-5-6-20-13/h5-6H,7-8H2,1-4H3,(H,14,15,19)
InChIKeyHZJYODXOYXNLOB-UHFFFAOYSA-N
XLogP1.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide (CID 22196609) is 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide is Cc1nn(C)c(C)c1CN(C)CC(=O)Nc1nccs1.
What is the InChIKey of 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HZJYODXOYXNLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-9-11(10(2)18(4)16-9)7-17(3)8-12(19)15-13-14-5-6-20-13/h5-6H,7-8H2,1-4H3,(H,14,15,19).
What are the key properties of 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 293.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 22196609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).