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

C10H11N5OS — CID 59698753

IUPACN-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide
SMILESCNC(=O)CNc1ncc(-c2ccncn2)s1
InChIInChI=1S/C10H11N5OS/c1-11-9(16)5-14-10-13-4-8(17-10)7-2-3-12-6-15-7/h2-4,6H,5H2,1H3,(H,11,16)(H,13,14)
InChIKeySBZXDDQWPGQSIS-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.76
Rot. Bonds4

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

N-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide (PubChem CID 59698753) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is N-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide
PubChem CID59698753
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC NameN-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide
SMILESCNC(=O)CNc1ncc(-c2ccncn2)s1
InChIInChI=1S/C10H11N5OS/c1-11-9(16)5-14-10-13-4-8(17-10)7-2-3-12-6-15-7/h2-4,6H,5H2,1H3,(H,11,16)(H,13,14)
InChIKeySBZXDDQWPGQSIS-UHFFFAOYSA-N
XLogP0.76
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide?
The IUPAC name of N-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide (CID 59698753) is N-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide.
What is the SMILES notation for N-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide?
The canonical SMILES for N-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide is CNC(=O)CNc1ncc(-c2ccncn2)s1.
What is the InChIKey of N-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide?
The InChIKey is SBZXDDQWPGQSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-11-9(16)5-14-10-13-4-8(17-10)7-2-3-12-6-15-7/h2-4,6H,5H2,1H3,(H,11,16)(H,13,14).
What are the key properties of N-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide?
N-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide has a molecular weight of 249.30 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide is sourced from PubChem (CID 59698753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).