4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline

C18H20N4S — CID 154846766

IUPAC4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline
SMILESCC(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccsn1
InChIInChI=1S/C18H20N4S/c1-13(16-9-11-23-21-16)19-15-7-5-14(6-8-15)17-12-22-10-3-2-4-18(22)20-17/h5-9,11-13,19H,2-4,10H2,1H3
InChIKeyYSGXTEWWBMCMGM-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.52
Rot. Bonds4

About 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline

4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline (PubChem CID 154846766) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline
PubChem CID154846766
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline
SMILESCC(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccsn1
InChIInChI=1S/C18H20N4S/c1-13(16-9-11-23-21-16)19-15-7-5-14(6-8-15)17-12-22-10-3-2-4-18(22)20-17/h5-9,11-13,19H,2-4,10H2,1H3
InChIKeyYSGXTEWWBMCMGM-UHFFFAOYSA-N
XLogP4.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline?
The IUPAC name of 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline (CID 154846766) is 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline.
What is the SMILES notation for 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline?
The canonical SMILES for 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline is CC(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccsn1.
What is the InChIKey of 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline?
The InChIKey is YSGXTEWWBMCMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-13(16-9-11-23-21-16)19-15-7-5-14(6-8-15)17-12-22-10-3-2-4-18(22)20-17/h5-9,11-13,19H,2-4,10H2,1H3.
What are the key properties of 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline?
4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline has a molecular weight of 324.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline is sourced from PubChem (CID 154846766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).