4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide

C20H15N3O2S2 — CID 91630256

IUPAC4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C20H15N3O2S2/c24-19(14-3-5-17(6-4-14)25-20-22-9-11-27-20)23-12-15-2-1-8-21-18(15)16-7-10-26-13-16/h1-11,13H,12H2,(H,23,24)
InChIKeyDRRNCUDNPUUCSH-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.99
Rot. Bonds6

About 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide

4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide (PubChem CID 91630256) has the molecular formula C20H15N3O2S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
PubChem CID91630256
Molecular FormulaC20H15N3O2S2
Molecular Weight393.49 g/mol
Exact Mass393.06
IUPAC Name4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C20H15N3O2S2/c24-19(14-3-5-17(6-4-14)25-20-22-9-11-27-20)23-12-15-2-1-8-21-18(15)16-7-10-26-13-16/h1-11,13H,12H2,(H,23,24)
InChIKeyDRRNCUDNPUUCSH-UHFFFAOYSA-N
XLogP4.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide (CID 91630256) is 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1cccnc1-c1ccsc1)c1ccc(Oc2nccs2)cc1.
What is the InChIKey of 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is DRRNCUDNPUUCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S2/c24-19(14-3-5-17(6-4-14)25-20-22-9-11-27-20)23-12-15-2-1-8-21-18(15)16-7-10-26-13-16/h1-11,13H,12H2,(H,23,24).
What are the key properties of 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 91630256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).