4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline

C18H15N5OS — CID 75385512

IUPAC4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nnc(-c2ccc(NCc3csc(-c4ccccn4)n3)cc2)o1
InChIInChI=1S/C18H15N5OS/c1-12-22-23-17(24-12)13-5-7-14(8-6-13)20-10-15-11-25-18(21-15)16-4-2-3-9-19-16/h2-9,11,20H,10H2,1H3
InChIKeyGPVDZZUDQIMDIM-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.18
Rot. Bonds5

About 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline

4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 75385512) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID75385512
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nnc(-c2ccc(NCc3csc(-c4ccccn4)n3)cc2)o1
InChIInChI=1S/C18H15N5OS/c1-12-22-23-17(24-12)13-5-7-14(8-6-13)20-10-15-11-25-18(21-15)16-4-2-3-9-19-16/h2-9,11,20H,10H2,1H3
InChIKeyGPVDZZUDQIMDIM-UHFFFAOYSA-N
XLogP4.18
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline (CID 75385512) is 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline is Cc1nnc(-c2ccc(NCc3csc(-c4ccccn4)n3)cc2)o1.
What is the InChIKey of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is GPVDZZUDQIMDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-12-22-23-17(24-12)13-5-7-14(8-6-13)20-10-15-11-25-18(21-15)16-4-2-3-9-19-16/h2-9,11,20H,10H2,1H3.
What are the key properties of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 349.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 75385512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).