2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide

C11H16N4S2 — CID 115331844

IUPAC2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide
SMILESCCCN(CC(N)=S)Cc1cn2ccsc2n1
InChIInChI=1S/C11H16N4S2/c1-2-3-14(8-10(12)16)6-9-7-15-4-5-17-11(15)13-9/h4-5,7H,2-3,6,8H2,1H3,(H2,12,16)
InChIKeyZWWXKMVGHTUKBK-UHFFFAOYSA-N
MW268.41 g/mol
LogP1.89
Rot. Bonds6

About 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide

2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide (PubChem CID 115331844) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide
PubChem CID115331844
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide
SMILESCCCN(CC(N)=S)Cc1cn2ccsc2n1
InChIInChI=1S/C11H16N4S2/c1-2-3-14(8-10(12)16)6-9-7-15-4-5-17-11(15)13-9/h4-5,7H,2-3,6,8H2,1H3,(H2,12,16)
InChIKeyZWWXKMVGHTUKBK-UHFFFAOYSA-N
XLogP1.89
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline
CID 115332111
N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 115334525
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide
CID 103567303
2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
CID 109398119
1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine
CID 115333851
2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid
CID 113288980
3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol
CID 113289297
2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid
CID 115332453
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylhexan-2-amine
CID 105023692
methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate
CID 78918735
N-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332601
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758

Frequently Asked Questions

What is the IUPAC name of 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide?
The IUPAC name of 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide (CID 115331844) is 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide.
What is the SMILES notation for 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide?
The canonical SMILES for 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide is CCCN(CC(N)=S)Cc1cn2ccsc2n1.
What is the InChIKey of 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide?
The InChIKey is ZWWXKMVGHTUKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-2-3-14(8-10(12)16)6-9-7-15-4-5-17-11(15)13-9/h4-5,7H,2-3,6,8H2,1H3,(H2,12,16).
What are the key properties of 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide?
2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide has a molecular weight of 268.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide is sourced from PubChem (CID 115331844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).