2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide

C8H14N4OS — CID 58719914

IUPAC2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCNCC(=O)NCc1ncc(NC)s1
InChIInChI=1S/C8H14N4OS/c1-9-3-6(13)11-5-8-12-4-7(10-2)14-8/h4,9-10H,3,5H2,1-2H3,(H,11,13)
InChIKeyJPAKKBLCLPVVMX-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.02
Rot. Bonds5

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

2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 58719914) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID58719914
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCNCC(=O)NCc1ncc(NC)s1
InChIInChI=1S/C8H14N4OS/c1-9-3-6(13)11-5-8-12-4-7(10-2)14-8/h4,9-10H,3,5H2,1-2H3,(H,11,13)
InChIKeyJPAKKBLCLPVVMX-UHFFFAOYSA-N
XLogP0.02
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide (CID 58719914) is 2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide is CNCC(=O)NCc1ncc(NC)s1.
What is the InChIKey of 2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is JPAKKBLCLPVVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-9-3-6(13)11-5-8-12-4-7(10-2)14-8/h4,9-10H,3,5H2,1-2H3,(H,11,13).
What are the key properties of 2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide?
2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 214.29 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[[5-(methylamino)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 58719914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).