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

C20H15N3O2S2 — CID 121166290

IUPAC4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1-c1cccs1)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C20H15N3O2S2/c24-19(14-5-7-16(8-6-14)25-20-22-10-12-27-20)23-13-15-3-1-9-21-18(15)17-4-2-11-26-17/h1-12H,13H2,(H,23,24)
InChIKeyMDIBEKOKUQLNKY-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.99
Rot. Bonds6

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

4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide (PubChem CID 121166290) 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-2-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
PubChem CID121166290
Molecular FormulaC20H15N3O2S2
Molecular Weight393.49 g/mol
Exact Mass393.06
IUPAC Name4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1-c1cccs1)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C20H15N3O2S2/c24-19(14-5-7-16(8-6-14)25-20-22-10-12-27-20)23-13-15-3-1-9-21-18(15)17-4-2-11-26-17/h1-12H,13H2,(H,23,24)
InChIKeyMDIBEKOKUQLNKY-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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Related Compounds

4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166193
3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166236
3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166121
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
3,5-ditert-butyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166153
N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide
CID 91625934
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 121166239
N-butyl-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813695
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1,2-oxazole-4-carboxamide
CID 91625820
(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide
CID 100745825
3,5-ditert-butyl-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]benzamide
CID 121145013
1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 121166342

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide (CID 121166290) is 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1cccnc1-c1cccs1)c1ccc(Oc2nccs2)cc1.
What is the InChIKey of 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is MDIBEKOKUQLNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S2/c24-19(14-5-7-16(8-6-14)25-20-22-10-12-27-20)23-13-15-3-1-9-21-18(15)17-4-2-11-26-17/h1-12H,13H2,(H,23,24).
What are the key properties of 4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-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-2-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 121166290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).