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

C14H19N5OS — CID 56815188

IUPAC2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C14H19N5OS/c1-2-3-7-19(9-12(15)20)8-11-10-21-14(18-11)13-16-5-4-6-17-13/h4-6,10H,2-3,7-9H2,1H3,(H2,15,20)
InChIKeyJODULKPIVGDKAB-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.69
Rot. Bonds8

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

2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide (PubChem CID 56815188) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
PubChem CID56815188
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C14H19N5OS/c1-2-3-7-19(9-12(15)20)8-11-10-21-14(18-11)13-16-5-4-6-17-13/h4-6,10H,2-3,7-9H2,1H3,(H2,15,20)
InChIKeyJODULKPIVGDKAB-UHFFFAOYSA-N
XLogP1.69
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The IUPAC name of 2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide (CID 56815188) is 2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide is CCCCN(CC(N)=O)Cc1csc(-c2ncccn2)n1.
What is the InChIKey of 2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The InChIKey is JODULKPIVGDKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-2-3-7-19(9-12(15)20)8-11-10-21-14(18-11)13-16-5-4-6-17-13/h4-6,10H,2-3,7-9H2,1H3,(H2,15,20).
What are the key properties of 2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide?
2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide has a molecular weight of 305.41 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 56815188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).