2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide

C12H14N6OS — CID 64546521

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
SMILESO=C(Cc1cn2ccsc2n1)NCCCc1ncn[nH]1
InChIInChI=1S/C12H14N6OS/c19-11(13-3-1-2-10-14-8-15-17-10)6-9-7-18-4-5-20-12(18)16-9/h4-5,7-8H,1-3,6H2,(H,13,19)(H,14,15,17)
InChIKeyKZBBSBPOCJLTEH-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.81
Rot. Bonds6

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide (PubChem CID 64546521) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
PubChem CID64546521
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
SMILESO=C(Cc1cn2ccsc2n1)NCCCc1ncn[nH]1
InChIInChI=1S/C12H14N6OS/c19-11(13-3-1-2-10-14-8-15-17-10)6-9-7-18-4-5-20-12(18)16-9/h4-5,7-8H,1-3,6H2,(H,13,19)(H,14,15,17)
InChIKeyKZBBSBPOCJLTEH-UHFFFAOYSA-N
XLogP0.81
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenoxyethyl)acetamide
CID 32933501
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 60552370
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 134025216
N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 31563729
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18113438
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 40722992
3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide
CID 64518007
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 113289240
N-[4-(2-amino-2-oxoethyl)-1H-pyrazol-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 135248276
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
CID 138380152

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide (CID 64546521) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide is O=C(Cc1cn2ccsc2n1)NCCCc1ncn[nH]1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The InChIKey is KZBBSBPOCJLTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c19-11(13-3-1-2-10-14-8-15-17-10)6-9-7-18-4-5-20-12(18)16-9/h4-5,7-8H,1-3,6H2,(H,13,19)(H,14,15,17).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide has a molecular weight of 290.35 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide is sourced from PubChem (CID 64546521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).