3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide

C13H18N4S — CID 54992223

IUPAC3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide
SMILESCC(CN(C)Cc1cn2ccccc2n1)C(N)=S
InChIInChI=1S/C13H18N4S/c1-10(13(14)18)7-16(2)8-11-9-17-6-4-3-5-12(17)15-11/h3-6,9-10H,7-8H2,1-2H3,(H2,14,18)
InChIKeyOHCZOHPSOLPWCM-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.69
Rot. Bonds5

About 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide

3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide (PubChem CID 54992223) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide
PubChem CID54992223
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide
SMILESCC(CN(C)Cc1cn2ccccc2n1)C(N)=S
InChIInChI=1S/C13H18N4S/c1-10(13(14)18)7-16(2)8-11-9-17-6-4-3-5-12(17)15-11/h3-6,9-10H,7-8H2,1-2H3,(H2,14,18)
InChIKeyOHCZOHPSOLPWCM-UHFFFAOYSA-N
XLogP1.69
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide
CID 43186266
[2-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 60922596
4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline
CID 43458276
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide
CID 62970898
[3-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 43248734
N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 4701920
1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol
CID 110931014
1-(imidazo[1,2-a]pyridin-2-ylmethylsulfinyl)propan-2-amine
CID 81188495
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
4-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-ol
CID 79422982
3-imidazo[1,2-a]pyridin-2-yl-2-methylpropan-1-amine
CID 83877207
3-(aminomethyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylaniline
CID 62970661

Frequently Asked Questions

What is the IUPAC name of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide?
The IUPAC name of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide (CID 54992223) is 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide is CC(CN(C)Cc1cn2ccccc2n1)C(N)=S.
What is the InChIKey of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide?
The InChIKey is OHCZOHPSOLPWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10(13(14)18)7-16(2)8-11-9-17-6-4-3-5-12(17)15-11/h3-6,9-10H,7-8H2,1-2H3,(H2,14,18).
What are the key properties of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide?
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide has a molecular weight of 262.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide is sourced from PubChem (CID 54992223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).