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

C14H18N4OS — CID 129473644

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

1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea (PubChem CID 129473644) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea
• PubChem CID: 129473644
• Molecular Formula: C14H18N4OS
• Molecular Weight: 290.39 g/mol
• Exact Mass: 290.12
• IUPAC Name: 1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea
• SMILES: O=C(NCc1ccsc1)NC[C@@H]1CCc2nccn2C1
• InChI: InChI=1S/C14H18N4OS/c19-14(17-8-12-3-6-20-10-12)16-7-11-1-2-13-15-4-5-18(13)9-11/h3-6,10-11H,1-2,7-9H2,(H2,16,17,19)/t11-/m0/s1
• InChIKey: ZJDXZZGNTMFLJX-NSHDSACASA-N
• XLogP: 2.01
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.39
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea?

The IUPAC name of 1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea (CID 129473644) is 1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea.

What is the SMILES notation for 1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea?

The canonical SMILES for 1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea is O=C(NCc1ccsc1)NC[C@@H]1CCc2nccn2C1.

What is the InChIKey of 1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea?

The InChIKey is ZJDXZZGNTMFLJX-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4OS/c19-14(17-8-12-3-6-20-10-12)16-7-11-1-2-13-15-4-5-18(13)9-11/h3-6,10-11H,1-2,7-9H2,(H2,16,17,19)/t11-/m0/s1.

What are the key properties of 1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea?

1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea has a molecular weight of 290.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 129473644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).