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

C10H13N5OS — CID 131947424

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)NCc2csc(N)n2)c1
InChIInChI=1S/C10H13N5OS/c1-7-2-13-15(4-7)5-9(16)12-3-8-6-17-10(11)14-8/h2,4,6H,3,5H2,1H3,(H2,11,14)(H,12,16)
InChIKeyAPMNZWHQBLNLII-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.55
Rot. Bonds4

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

N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 131947424) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID131947424
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)NCc2csc(N)n2)c1
InChIInChI=1S/C10H13N5OS/c1-7-2-13-15(4-7)5-9(16)12-3-8-6-17-10(11)14-8/h2,4,6H,3,5H2,1H3,(H2,11,14)(H,12,16)
InChIKeyAPMNZWHQBLNLII-UHFFFAOYSA-N
XLogP0.55
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide (CID 131947424) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)NCc2csc(N)n2)c1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is APMNZWHQBLNLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-7-2-13-15(4-7)5-9(16)12-3-8-6-17-10(11)14-8/h2,4,6H,3,5H2,1H3,(H2,11,14)(H,12,16).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 251.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 131947424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).