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

C10H13N5OS — CID 55120125

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)Cc1csc(N)n1
InChIInChI=1S/C10H13N5OS/c1-6-7(4-13-15-6)3-12-9(16)2-8-5-17-10(11)14-8/h4-5H,2-3H2,1H3,(H2,11,14)(H,12,16)(H,13,15)
InChIKeyVUJSQRWQAZSHKD-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.62
Rot. Bonds4

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

2-(2-amino-1,3-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 55120125) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID55120125
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)Cc1csc(N)n1
InChIInChI=1S/C10H13N5OS/c1-6-7(4-13-15-6)3-12-9(16)2-8-5-17-10(11)14-8/h4-5H,2-3H2,1H3,(H2,11,14)(H,12,16)(H,13,15)
InChIKeyVUJSQRWQAZSHKD-UHFFFAOYSA-N
XLogP0.62
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (CID 55120125) is 2-(2-amino-1,3-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is Cc1[nH]ncc1CNC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is VUJSQRWQAZSHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6-7(4-13-15-6)3-12-9(16)2-8-5-17-10(11)14-8/h4-5H,2-3H2,1H3,(H2,11,14)(H,12,16)(H,13,15).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 251.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 55120125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).