3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione

C10H14N4O2S2 — CID 84762001

IUPAC3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione
SMILESNCCc1csc(NCCN2C(=O)CSC2=O)n1
InChIInChI=1S/C10H14N4O2S2/c11-2-1-7-5-17-9(13-7)12-3-4-14-8(15)6-18-10(14)16/h5H,1-4,6,11H2,(H,12,13)
InChIKeyHKAZOWCCNNSEFG-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.75
Rot. Bonds6

About 3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione

3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 84762001) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione
PubChem CID84762001
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC Name3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione
SMILESNCCc1csc(NCCN2C(=O)CSC2=O)n1
InChIInChI=1S/C10H14N4O2S2/c11-2-1-7-5-17-9(13-7)12-3-4-14-8(15)6-18-10(14)16/h5H,1-4,6,11H2,(H,12,13)
InChIKeyHKAZOWCCNNSEFG-UHFFFAOYSA-N
XLogP0.75
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol
CID 84761983
4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 28710980
N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N',N'-diethylbutane-1,4-diamine
CID 84761995
4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine
CID 84761990
3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione
CID 126990912
4-(2-aminoethyl)-N-cyclopentyl-1,3-thiazol-2-amine
CID 28710824
N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 28803745
4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 28710900
3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol
CID 84761905
3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103487121
3-[2-[(4-amino-4-oxobutyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486432
4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 54244678

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione (CID 84762001) is 3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione is NCCc1csc(NCCN2C(=O)CSC2=O)n1.
What is the InChIKey of 3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is HKAZOWCCNNSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c11-2-1-7-5-17-9(13-7)12-3-4-14-8(15)6-18-10(14)16/h5H,1-4,6,11H2,(H,12,13).
What are the key properties of 3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione?
3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 286.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 84762001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).