N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine

C16H19N3S — CID 861018

IUPACN-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCC(C)CCNc1c(-c2cccs2)nc2ccccn12
InChIInChI=1S/C16H19N3S/c1-12(2)8-9-17-16-15(13-6-5-11-20-13)18-14-7-3-4-10-19(14)16/h3-7,10-12,17H,8-9H2,1-2H3
InChIKeyZGMBFXWRYBFWGO-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.52
Rot. Bonds5

About N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine

N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 861018) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID861018
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCC(C)CCNc1c(-c2cccs2)nc2ccccn12
InChIInChI=1S/C16H19N3S/c1-12(2)8-9-17-16-15(13-6-5-11-20-13)18-14-7-3-4-10-19(14)16/h3-7,10-12,17H,8-9H2,1-2H3
InChIKeyZGMBFXWRYBFWGO-UHFFFAOYSA-N
XLogP4.52
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

E6Clv6G2RR
CID 16750138
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
Ikk-IN-3
CID 10215156
N,4,12-trimethyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823920
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
CID 2813457
2-(5-Bromo-2-thienyl)imidazo[1,2-a]pyridine
CID 711734

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine (CID 861018) is N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine is CC(C)CCNc1c(-c2cccs2)nc2ccccn12.
What is the InChIKey of N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is ZGMBFXWRYBFWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-12(2)8-9-17-16-15(13-6-5-11-20-13)18-14-7-3-4-10-19(14)16/h3-7,10-12,17H,8-9H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 285.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 861018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).