2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide

C9H16N4OS — CID 102768070

IUPAC2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1ncc(N)s1
InChIInChI=1S/C9H16N4OS/c1-2-3-4-13(6-7(10)14)9-12-5-8(11)15-9/h5H,2-4,6,11H2,1H3,(H2,10,14)
InChIKeyBVIKGZHXLZGFKF-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.82
Rot. Bonds6

About 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide

2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide (PubChem CID 102768070) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide
PubChem CID102768070
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1ncc(N)s1
InChIInChI=1S/C9H16N4OS/c1-2-3-4-13(6-7(10)14)9-12-5-8(11)15-9/h5H,2-4,6,11H2,1H3,(H2,10,14)
InChIKeyBVIKGZHXLZGFKF-UHFFFAOYSA-N
XLogP0.82
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934
2-[(4-aminopyrimidin-2-yl)-butylamino]acetamide
CID 116796582
2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol
CID 69335060
2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide
CID 80692698
2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
CID 80821350
2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide
CID 115486965
2-[(2-aminopyrimidin-4-yl)-butylamino]acetamide
CID 80821112
2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide
CID 80821348
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide
CID 103326538
methyl 4-[(2-amino-2-oxoethyl)-butylamino]pyrimidine-5-carboxylate
CID 114214276
2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide
CID 62343261
2-[(8-amino-3-methylisoquinolin-5-yl)-butylamino]acetamide
CID 102713247

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide?
The IUPAC name of 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide (CID 102768070) is 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide?
The canonical SMILES for 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide is CCCCN(CC(N)=O)c1ncc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide?
The InChIKey is BVIKGZHXLZGFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-2-3-4-13(6-7(10)14)9-12-5-8(11)15-9/h5H,2-4,6,11H2,1H3,(H2,10,14).
What are the key properties of 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide?
2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide has a molecular weight of 228.32 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide is sourced from PubChem (CID 102768070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).