3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea

C20H20N4O3S — CID 59023932

IUPAC3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1)N(CCO)CCO
InChIInChI=1S/C20H20N4O3S/c25-7-5-24(6-8-26)20(27)22-15-9-14-12-21-23-19(14)16(11-15)18-10-13-3-1-2-4-17(13)28-18/h1-4,9-12,25-26H,5-8H2,(H,21,23)(H,22,27)
InChIKeyLHVWDYANSNXSFX-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.26
Rot. Bonds6

About 3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea

3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea (PubChem CID 59023932) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea
PubChem CID59023932
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1)N(CCO)CCO
InChIInChI=1S/C20H20N4O3S/c25-7-5-24(6-8-26)20(27)22-15-9-14-12-21-23-19(14)16(11-15)18-10-13-3-1-2-4-17(13)28-18/h1-4,9-12,25-26H,5-8H2,(H,21,23)(H,22,27)
InChIKeyLHVWDYANSNXSFX-UHFFFAOYSA-N
XLogP3.26
TPSA101.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea?
The IUPAC name of 3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea (CID 59023932) is 3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea?
The canonical SMILES for 3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea is O=C(Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1)N(CCO)CCO.
What is the InChIKey of 3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea?
The InChIKey is LHVWDYANSNXSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-7-5-24(6-8-26)20(27)22-15-9-14-12-21-23-19(14)16(11-15)18-10-13-3-1-2-4-17(13)28-18/h1-4,9-12,25-26H,5-8H2,(H,21,23)(H,22,27).
What are the key properties of 3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea?
3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea has a molecular weight of 396.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea is sourced from PubChem (CID 59023932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).