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

C14H15N5OS — CID 86793020

IUPACN-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1cnc(CNc2nnc(-c3ccncc3)o2)s1
InChIInChI=1S/C14H15N5OS/c1-9(2)11-7-16-12(21-11)8-17-14-19-18-13(20-14)10-3-5-15-6-4-10/h3-7,9H,8H2,1-2H3,(H,17,19)
InChIKeyUVVQDTYBIMXEFI-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.32
Rot. Bonds5

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

N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (PubChem CID 86793020) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
PubChem CID86793020
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1cnc(CNc2nnc(-c3ccncc3)o2)s1
InChIInChI=1S/C14H15N5OS/c1-9(2)11-7-16-12(21-11)8-17-14-19-18-13(20-14)10-3-5-15-6-4-10/h3-7,9H,8H2,1-2H3,(H,17,19)
InChIKeyUVVQDTYBIMXEFI-UHFFFAOYSA-N
XLogP3.32
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (CID 86793020) is N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is CC(C)c1cnc(CNc2nnc(-c3ccncc3)o2)s1.
What is the InChIKey of N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is UVVQDTYBIMXEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-9(2)11-7-16-12(21-11)8-17-14-19-18-13(20-14)10-3-5-15-6-4-10/h3-7,9H,8H2,1-2H3,(H,17,19).
What are the key properties of N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 301.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86793020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).