1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea

C13H16N4OS — CID 129329341

IUPAC1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea
SMILESO=C(NC[C@H]1CCn2ccnc2C1)Nc1ccsc1
InChIInChI=1S/C13H16N4OS/c18-13(16-11-2-6-19-9-11)15-8-10-1-4-17-5-3-14-12(17)7-10/h2-3,5-6,9-10H,1,4,7-8H2,(H2,15,16,18)/t10-/m0/s1
InChIKeyFARHMUXUVBZUPY-JTQLQIEISA-N
MW276.36 g/mol
LogP2.33
Rot. Bonds3

About 1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea

1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea (PubChem CID 129329341) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea
PubChem CID129329341
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea
SMILESO=C(NC[C@H]1CCn2ccnc2C1)Nc1ccsc1
InChIInChI=1S/C13H16N4OS/c18-13(16-11-2-6-19-9-11)15-8-10-1-4-17-5-3-14-12(17)7-10/h2-3,5-6,9-10H,1,4,7-8H2,(H2,15,16,18)/t10-/m0/s1
InChIKeyFARHMUXUVBZUPY-JTQLQIEISA-N
XLogP2.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea?
The IUPAC name of 1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea (CID 129329341) is 1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea.
What is the SMILES notation for 1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea?
The canonical SMILES for 1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea is O=C(NC[C@H]1CCn2ccnc2C1)Nc1ccsc1.
What is the InChIKey of 1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea?
The InChIKey is FARHMUXUVBZUPY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4OS/c18-13(16-11-2-6-19-9-11)15-8-10-1-4-17-5-3-14-12(17)7-10/h2-3,5-6,9-10H,1,4,7-8H2,(H2,15,16,18)/t10-/m0/s1.
What are the key properties of 1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea?
1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea has a molecular weight of 276.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea is sourced from PubChem (CID 129329341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).