1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea

C21H24N8OS — CID 68905399

IUPAC1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1cn2c(-c3nnc(CCN(C)C)s3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C21H24N8OS/c1-4-23-21(30)25-17-13-29-16(20-27-26-19(31-20)7-9-28(2)3)10-15(11-18(29)24-17)14-6-5-8-22-12-14/h5-6,8,10-13H,4,7,9H2,1-3H3,(H2,23,25,30)
InChIKeyQDQYXUQPSVVBRV-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.16
Rot. Bonds7

About 1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea

1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea (PubChem CID 68905399) has the molecular formula C21H24N8OS and a molecular weight of 436.55 g/mol. Its IUPAC name is 1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea
PubChem CID68905399
Molecular FormulaC21H24N8OS
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC Name1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1cn2c(-c3nnc(CCN(C)C)s3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C21H24N8OS/c1-4-23-21(30)25-17-13-29-16(20-27-26-19(31-20)7-9-28(2)3)10-15(11-18(29)24-17)14-6-5-8-22-12-14/h5-6,8,10-13H,4,7,9H2,1-3H3,(H2,23,25,30)
InChIKeyQDQYXUQPSVVBRV-UHFFFAOYSA-N
XLogP3.16
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea?
The IUPAC name of 1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea (CID 68905399) is 1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea?
The canonical SMILES for 1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea is CCNC(=O)Nc1cn2c(-c3nnc(CCN(C)C)s3)cc(-c3cccnc3)cc2n1.
What is the InChIKey of 1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea?
The InChIKey is QDQYXUQPSVVBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8OS/c1-4-23-21(30)25-17-13-29-16(20-27-26-19(31-20)7-9-28(2)3)10-15(11-18(29)24-17)14-6-5-8-22-12-14/h5-6,8,10-13H,4,7,9H2,1-3H3,(H2,23,25,30).
What are the key properties of 1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea?
1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea has a molecular weight of 436.55 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea is sourced from PubChem (CID 68905399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).