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

C16H16N4S — CID 62970898

IUPAC3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide
SMILESCN(Cc1cn2ccccc2n1)c1cccc(C(N)=S)c1
InChIInChI=1S/C16H16N4S/c1-19(14-6-4-5-12(9-14)16(17)21)10-13-11-20-8-3-2-7-15(20)18-13/h2-9,11H,10H2,1H3,(H2,17,21)
InChIKeyDNZKZYAATNYNHH-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.60
Rot. Bonds4

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

3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide (PubChem CID 62970898) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide.

Molecular Properties

Compound Name3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide
PubChem CID62970898
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide
SMILESCN(Cc1cn2ccccc2n1)c1cccc(C(N)=S)c1
InChIInChI=1S/C16H16N4S/c1-19(14-6-4-5-12(9-14)16(17)21)10-13-11-20-8-3-2-7-15(20)18-13/h2-9,11H,10H2,1H3,(H2,17,21)
InChIKeyDNZKZYAATNYNHH-UHFFFAOYSA-N
XLogP2.60
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.60
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-(aminomethyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylaniline
CID 62970661
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3-dimethylaniline
CID 53171811
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24701418
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide
CID 54992223
[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
3-[(N-methylanilino)methyl]benzenecarbothioamide
CID 24698703
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide
CID 43186266
4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine
CID 107466224
3-[(3-bromophenyl)methyl-methylamino]benzenecarbothioamide
CID 62971074
[2-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 60922596
2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine
CID 62009772

Frequently Asked Questions

What is the IUPAC name of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide?
The IUPAC name of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide (CID 62970898) is 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide.
What is the SMILES notation for 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide?
The canonical SMILES for 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide is CN(Cc1cn2ccccc2n1)c1cccc(C(N)=S)c1.
What is the InChIKey of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide?
The InChIKey is DNZKZYAATNYNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-19(14-6-4-5-12(9-14)16(17)21)10-13-11-20-8-3-2-7-15(20)18-13/h2-9,11H,10H2,1H3,(H2,17,21).
What are the key properties of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide?
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide has a molecular weight of 296.40 g/mol, XLogP of 2.60, 4 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]benzenecarbothioamide is sourced from PubChem (CID 62970898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).