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

C16H11ClN4O2S — CID 168584476

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline
SMILESClc1ncc(CNc2ccc(-c3nnc(-c4ccco4)o3)cc2)s1
InChIInChI=1S/C16H11ClN4O2S/c17-16-19-9-12(24-16)8-18-11-5-3-10(4-6-11)14-20-21-15(23-14)13-2-1-7-22-13/h1-7,9,18H,8H2
InChIKeyGBBXTRKXGGKNFV-UHFFFAOYSA-N
MW358.81 g/mol
LogP4.72
Rot. Bonds5

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 168584476) has the molecular formula C16H11ClN4O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline
PubChem CID168584476
Molecular FormulaC16H11ClN4O2S
Molecular Weight358.81 g/mol
Exact Mass358.03
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline
SMILESClc1ncc(CNc2ccc(-c3nnc(-c4ccco4)o3)cc2)s1
InChIInChI=1S/C16H11ClN4O2S/c17-16-19-9-12(24-16)8-18-11-5-3-10(4-6-11)14-20-21-15(23-14)13-2-1-7-22-13/h1-7,9,18H,8H2
InChIKeyGBBXTRKXGGKNFV-UHFFFAOYSA-N
XLogP4.72
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline (CID 168584476) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline is Clc1ncc(CNc2ccc(-c3nnc(-c4ccco4)o3)cc2)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is GBBXTRKXGGKNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2S/c17-16-19-9-12(24-16)8-18-11-5-3-10(4-6-11)14-20-21-15(23-14)13-2-1-7-22-13/h1-7,9,18H,8H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 358.81 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 168584476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).