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

C15H16N4OS — CID 75498291

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ncsc1CNc1nnc(CCc2ccccc2)o1
InChIInChI=1S/C15H16N4OS/c1-11-13(21-10-17-11)9-16-15-19-18-14(20-15)8-7-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,16,19)
InChIKeyNLZRDRMITPYODS-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.23
Rot. Bonds6

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

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 75498291) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID75498291
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ncsc1CNc1nnc(CCc2ccccc2)o1
InChIInChI=1S/C15H16N4OS/c1-11-13(21-10-17-11)9-16-15-19-18-14(20-15)8-7-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,16,19)
InChIKeyNLZRDRMITPYODS-UHFFFAOYSA-N
XLogP3.23
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine (CID 75498291) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine is Cc1ncsc1CNc1nnc(CCc2ccccc2)o1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NLZRDRMITPYODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-11-13(21-10-17-11)9-16-15-19-18-14(20-15)8-7-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,16,19).
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 300.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75498291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).