7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile

C16H16ClN5OS — CID 166199097

IUPAC7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOC(C)c1nc(CN(C)c2nc3cc(Cl)ccn3c2C#N)cs1
InChIInChI=1S/C16H16ClN5OS/c1-10(23-3)16-19-12(9-24-16)8-21(2)15-13(7-18)22-5-4-11(17)6-14(22)20-15/h4-6,9-10H,8H2,1-3H3
InChIKeyXVGACKQXQOQPIV-UHFFFAOYSA-N
MW361.86 g/mol
LogP3.66
Rot. Bonds5

About 7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile

7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 166199097) has the molecular formula C16H16ClN5OS and a molecular weight of 361.86 g/mol. Its IUPAC name is 7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID166199097
Molecular FormulaC16H16ClN5OS
Molecular Weight361.86 g/mol
Exact Mass361.08
IUPAC Name7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOC(C)c1nc(CN(C)c2nc3cc(Cl)ccn3c2C#N)cs1
InChIInChI=1S/C16H16ClN5OS/c1-10(23-3)16-19-12(9-24-16)8-21(2)15-13(7-18)22-5-4-11(17)6-14(22)20-15/h4-6,9-10H,8H2,1-3H3
InChIKeyXVGACKQXQOQPIV-UHFFFAOYSA-N
XLogP3.66
TPSA66.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile (CID 166199097) is 7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile is COC(C)c1nc(CN(C)c2nc3cc(Cl)ccn3c2C#N)cs1.
What is the InChIKey of 7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is XVGACKQXQOQPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS/c1-10(23-3)16-19-12(9-24-16)8-21(2)15-13(7-18)22-5-4-11(17)6-14(22)20-15/h4-6,9-10H,8H2,1-3H3.
What are the key properties of 7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 361.86 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 166199097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).