N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine

C13H14N4S2 — CID 55239075

IUPACN-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1c(Sc2nccs2)nc2ccccn12
InChIInChI=1S/C13H14N4S2/c1-2-14-9-10-12(19-13-15-6-8-18-13)16-11-5-3-4-7-17(10)11/h3-8,14H,2,9H2,1H3
InChIKeyRFMPDKWKPATEIS-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.05
Rot. Bonds5

About N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine

N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine (PubChem CID 55239075) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
PubChem CID55239075
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC NameN-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1c(Sc2nccs2)nc2ccccn12
InChIInChI=1S/C13H14N4S2/c1-2-14-9-10-12(19-13-15-6-8-18-13)16-11-5-3-4-7-17(10)11/h3-8,14H,2,9H2,1H3
InChIKeyRFMPDKWKPATEIS-UHFFFAOYSA-N
XLogP3.05
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 63806480
N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 63805663
N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 63805879
N-[(2-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 43478543
N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63805833
2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 63812837
N-methyl-1-(2-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 63814200
3-(ethylaminomethyl)-N,N-dipropylimidazo[1,2-a]pyridin-2-amine
CID 43478234
2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 63805231
N-[[2-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 43478690
N-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
CID 63805394
N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63813892

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine (CID 55239075) is N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine is CCNCc1c(Sc2nccs2)nc2ccccn12.
What is the InChIKey of N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
The InChIKey is RFMPDKWKPATEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-2-14-9-10-12(19-13-15-6-8-18-13)16-11-5-3-4-7-17(10)11/h3-8,14H,2,9H2,1H3.
What are the key properties of N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine has a molecular weight of 290.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine is sourced from PubChem (CID 55239075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).