1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one

C6H12N2OS — CID 163130550

IUPAC1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one
SMILESCC(=O)CN1CCSC1N
InChIInChI=1S/C6H12N2OS/c1-5(9)4-8-2-3-10-6(8)7/h6H,2-4,7H2,1H3
InChIKeyRPFOKZXWEAFJQX-UHFFFAOYSA-N
MW160.24 g/mol
LogP-0.13
Rot. Bonds2

About 1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one

1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one (PubChem CID 163130550) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one
PubChem CID163130550
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one
SMILESCC(=O)CN1CCSC1N
InChIInChI=1S/C6H12N2OS/c1-5(9)4-8-2-3-10-6(8)7/h6H,2-4,7H2,1H3
InChIKeyRPFOKZXWEAFJQX-UHFFFAOYSA-N
XLogP-0.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163146359
1-[6-(aminomethyl)-4,7,10-tris(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-one
CID 58903977
3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine
CID 163180640
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one
CID 62888278
3-amino-1-(2-oxopropyl)piperidin-2-one
CID 71595862
1-(3-aminothian-4-yl)propan-2-one
CID 115014220
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide
CID 131036059
3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid
CID 67224298
1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
2-[4,7-bis(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 56946868
ethane;1-piperidin-1-ylpropan-2-one
CID 90726504

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one?
The IUPAC name of 1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one (CID 163130550) is 1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one.
What is the SMILES notation for 1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one?
The canonical SMILES for 1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one is CC(=O)CN1CCSC1N.
What is the InChIKey of 1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one?
The InChIKey is RPFOKZXWEAFJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-5(9)4-8-2-3-10-6(8)7/h6H,2-4,7H2,1H3.
What are the key properties of 1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one?
1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one has a molecular weight of 160.24 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one is sourced from PubChem (CID 163130550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).