N,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine

C16H25N5S — CID 71929157

IUPACN,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCC2CCCn3ccnc32)s1
InChIInChI=1S/C16H25N5S/c1-3-20(4-2)16-19-12-14(22-16)11-17-10-13-6-5-8-21-9-7-18-15(13)21/h7,9,12-13,17H,3-6,8,10-11H2,1-2H3
InChIKeyPLRIYVJLADVNOJ-UHFFFAOYSA-N
MW319.48 g/mol
LogP2.85
Rot. Bonds7

About N,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 71929157) has the molecular formula C16H25N5S and a molecular weight of 319.48 g/mol. Its IUPAC name is N,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID71929157
Molecular FormulaC16H25N5S
Molecular Weight319.48 g/mol
Exact Mass319.18
IUPAC NameN,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCC2CCCn3ccnc32)s1
InChIInChI=1S/C16H25N5S/c1-3-20(4-2)16-19-12-14(22-16)11-17-10-13-6-5-8-21-9-7-18-15(13)21/h7,9,12-13,17H,3-6,8,10-11H2,1-2H3
InChIKeyPLRIYVJLADVNOJ-UHFFFAOYSA-N
XLogP2.85
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine (CID 71929157) is N,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCC2CCCn3ccnc32)s1.
What is the InChIKey of N,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is PLRIYVJLADVNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5S/c1-3-20(4-2)16-19-12-14(22-16)11-17-10-13-6-5-8-21-9-7-18-15(13)21/h7,9,12-13,17H,3-6,8,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 319.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 71929157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).