[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine

C12H16N6S2 — CID 115332032

IUPAC[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1SCc1cn2ccsc2n1
InChIInChI=1S/C12H16N6S2/c1-2-3-18-10(6-13)15-16-12(18)20-8-9-7-17-4-5-19-11(17)14-9/h4-5,7H,2-3,6,8,13H2,1H3
InChIKeyDODYQQSOCRMOKE-UHFFFAOYSA-N
MW308.44 g/mol
LogP2.15
Rot. Bonds6

About [5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine

[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 115332032) has the molecular formula C12H16N6S2 and a molecular weight of 308.44 g/mol. Its IUPAC name is [5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
PubChem CID115332032
Molecular FormulaC12H16N6S2
Molecular Weight308.44 g/mol
Exact Mass308.09
IUPAC Name[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1SCc1cn2ccsc2n1
InChIInChI=1S/C12H16N6S2/c1-2-3-18-10(6-13)15-16-12(18)20-8-9-7-17-4-5-19-11(17)14-9/h4-5,7H,2-3,6,8,13H2,1H3
InChIKeyDODYQQSOCRMOKE-UHFFFAOYSA-N
XLogP2.15
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine with MolForge

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Related Compounds

[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63313706
[5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 79267356
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine
CID 115334592
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 52558692
[5-[(1-ethylpyrazol-4-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 55205251
2-[[5-(aminomethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 63314004
[5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63313782
[5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63313830
[5-[(3-fluorophenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63314009
2-[[5-(aminomethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 63313826
[5-(2-phenylsulfanylethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 79222517
[5-[(4-nitrophenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63314052

Frequently Asked Questions

What is the IUPAC name of [5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine (CID 115332032) is [5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine is CCCn1c(CN)nnc1SCc1cn2ccsc2n1.
What is the InChIKey of [5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is DODYQQSOCRMOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S2/c1-2-3-18-10(6-13)15-16-12(18)20-8-9-7-17-4-5-19-11(17)14-9/h4-5,7H,2-3,6,8,13H2,1H3.
What are the key properties of [5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 308.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 115332032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).