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

C16H16N4OS — CID 71913483

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
SMILESCc1nc(-c2cccc(NCc3csc(C4CC4)n3)c2)no1
InChIInChI=1S/C16H16N4OS/c1-10-18-15(20-21-10)12-3-2-4-13(7-12)17-8-14-9-22-16(19-14)11-5-6-11/h2-4,7,9,11,17H,5-6,8H2,1H3
InChIKeyXHYXZICZZAFPRW-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.99
Rot. Bonds5

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

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline (PubChem CID 71913483) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
PubChem CID71913483
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
SMILESCc1nc(-c2cccc(NCc3csc(C4CC4)n3)c2)no1
InChIInChI=1S/C16H16N4OS/c1-10-18-15(20-21-10)12-3-2-4-13(7-12)17-8-14-9-22-16(19-14)11-5-6-11/h2-4,7,9,11,17H,5-6,8H2,1H3
InChIKeyXHYXZICZZAFPRW-UHFFFAOYSA-N
XLogP3.99
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline (CID 71913483) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline is Cc1nc(-c2cccc(NCc3csc(C4CC4)n3)c2)no1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline?
The InChIKey is XHYXZICZZAFPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-10-18-15(20-21-10)12-3-2-4-13(7-12)17-8-14-9-22-16(19-14)11-5-6-11/h2-4,7,9,11,17H,5-6,8H2,1H3.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline has a molecular weight of 312.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline is sourced from PubChem (CID 71913483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).