1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea

C18H15N5OS — CID 11371508

IUPAC1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea
SMILESNc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12
InChIInChI=1S/C18H15N5OS/c19-17-16-14(2-1-3-15(16)22-23-17)11-4-6-12(7-5-11)20-18(24)21-13-8-9-25-10-13/h1-10H,(H3,19,22,23)(H2,20,21,24)
InChIKeyOPVYNMNWPXOEJX-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.52
Rot. Bonds3

About 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea

1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea (PubChem CID 11371508) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea
PubChem CID11371508
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea
SMILESNc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12
InChIInChI=1S/C18H15N5OS/c19-17-16-14(2-1-3-15(16)22-23-17)11-4-6-12(7-5-11)20-18(24)21-13-8-9-25-10-13/h1-10H,(H3,19,22,23)(H2,20,21,24)
InChIKeyOPVYNMNWPXOEJX-UHFFFAOYSA-N
XLogP4.52
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea?
The IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea (CID 11371508) is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea.
What is the SMILES notation for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea?
The canonical SMILES for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea is Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12.
What is the InChIKey of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea?
The InChIKey is OPVYNMNWPXOEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c19-17-16-14(2-1-3-15(16)22-23-17)11-4-6-12(7-5-11)20-18(24)21-13-8-9-25-10-13/h1-10H,(H3,19,22,23)(H2,20,21,24).
What are the key properties of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea?
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea has a molecular weight of 349.42 g/mol, XLogP of 4.52, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-ylurea is sourced from PubChem (CID 11371508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).