1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea

C20H21N5OS — CID 43991871

IUPAC1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea
SMILESO=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)Nc1cccs1
InChIInChI=1S/C20H21N5OS/c26-20(22-19-8-5-13-27-19)21-16-7-4-6-15(14-16)17-9-10-18(24-23-17)25-11-2-1-3-12-25/h4-10,13-14H,1-3,11-12H2,(H2,21,22,26)
InChIKeyKPZFJYJOINEARW-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.84
Rot. Bonds4

About 1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea

1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea (PubChem CID 43991871) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea
PubChem CID43991871
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea
SMILESO=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)Nc1cccs1
InChIInChI=1S/C20H21N5OS/c26-20(22-19-8-5-13-27-19)21-16-7-4-6-15(14-16)17-9-10-18(24-23-17)25-11-2-1-3-12-25/h4-10,13-14H,1-3,11-12H2,(H2,21,22,26)
InChIKeyKPZFJYJOINEARW-UHFFFAOYSA-N
XLogP4.84
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenylurea
CID 43991408
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]thiophene-2-carboxamide
CID 7593249
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(3,4-difluorophenyl)urea
CID 43991412
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(3-methoxyphenyl)urea
CID 43991414
1-(furan-2-yl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991870
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(4-propan-2-ylphenyl)urea
CID 43991446
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(3-chloro-2-methylphenyl)urea
CID 43991436
1-(3-chloro-2-methylphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991842
1-(1,3-benzodioxol-5-yl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991826
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dichlorophenyl)urea
CID 43991454
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dimethylphenyl)urea
CID 43991451
1-(2-methoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991819

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea (CID 43991871) is 1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea is O=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)Nc1cccs1.
What is the InChIKey of 1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea?
The InChIKey is KPZFJYJOINEARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-20(22-19-8-5-13-27-19)21-16-7-4-6-15(14-16)17-9-10-18(24-23-17)25-11-2-1-3-12-25/h4-10,13-14H,1-3,11-12H2,(H2,21,22,26).
What are the key properties of 1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea?
1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea has a molecular weight of 379.49 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 43991871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).