[5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone

C16H15N3O2S — CID 146637981

IUPAC[5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1csc(-c2n[nH]c3ccccc23)c1)N1CCOCC1
InChIInChI=1S/C16H15N3O2S/c20-16(19-5-7-21-8-6-19)11-9-14(22-10-11)15-12-3-1-2-4-13(12)17-18-15/h1-4,9-10H,5-8H2,(H,17,18)
InChIKeyHNDORRDPUHTGMB-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.76
Rot. Bonds2

About [5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone

[5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone (PubChem CID 146637981) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is [5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone
PubChem CID146637981
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name[5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1csc(-c2n[nH]c3ccccc23)c1)N1CCOCC1
InChIInChI=1S/C16H15N3O2S/c20-16(19-5-7-21-8-6-19)11-9-14(22-10-11)15-12-3-1-2-4-13(12)17-18-15/h1-4,9-10H,5-8H2,(H,17,18)
InChIKeyHNDORRDPUHTGMB-UHFFFAOYSA-N
XLogP2.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone (CID 146637981) is [5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone is O=C(c1csc(-c2n[nH]c3ccccc23)c1)N1CCOCC1.
What is the InChIKey of [5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone?
The InChIKey is HNDORRDPUHTGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-16(19-5-7-21-8-6-19)11-9-14(22-10-11)15-12-3-1-2-4-13(12)17-18-15/h1-4,9-10H,5-8H2,(H,17,18).
What are the key properties of [5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone?
[5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone has a molecular weight of 313.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 146637981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).