3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one

C11H14N6OS2 — CID 63817826

IUPAC3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
SMILESCC(N)Cc1c(Sc2n[nH]c(=O)n2C)nc2sccn12
InChIInChI=1S/C11H14N6OS2/c1-6(12)5-7-8(13-10-17(7)3-4-19-10)20-11-15-14-9(18)16(11)2/h3-4,6H,5,12H2,1-2H3,(H,14,18)
InChIKeyRYMZMTPNXVLKOW-UHFFFAOYSA-N
MW310.41 g/mol
LogP0.86
Rot. Bonds4

About 3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one

3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 63817826) has the molecular formula C11H14N6OS2 and a molecular weight of 310.41 g/mol. Its IUPAC name is 3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID63817826
Molecular FormulaC11H14N6OS2
Molecular Weight310.41 g/mol
Exact Mass310.07
IUPAC Name3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
SMILESCC(N)Cc1c(Sc2n[nH]c(=O)n2C)nc2sccn12
InChIInChI=1S/C11H14N6OS2/c1-6(12)5-7-8(13-10-17(7)3-4-19-10)20-11-15-14-9(18)16(11)2/h3-4,6H,5,12H2,1-2H3,(H,14,18)
InChIKeyRYMZMTPNXVLKOW-UHFFFAOYSA-N
XLogP0.86
TPSA94.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63808104
1-[6-(1-methyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63820444
1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63820287
3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63835596
1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63819682
1-[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63815717
2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one
CID 63809912
3-(3-aminobutan-2-ylsulfanyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 64634355
1-[6-(2-methylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63815708
[6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63809988
1-(6-piperidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-amine
CID 63785604
3-(4-aminophenyl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 62896021

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one (CID 63817826) is 3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one is CC(N)Cc1c(Sc2n[nH]c(=O)n2C)nc2sccn12.
What is the InChIKey of 3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is RYMZMTPNXVLKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS2/c1-6(12)5-7-8(13-10-17(7)3-4-19-10)20-11-15-14-9(18)16(11)2/h3-4,6H,5,12H2,1-2H3,(H,14,18).
What are the key properties of 3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 310.41 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 63817826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).