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

C11H15N3OS — CID 75446051

IUPACN-[(5-methylthiophen-2-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(CNc2nnc(C(C)C)o2)s1
InChIInChI=1S/C11H15N3OS/c1-7(2)10-13-14-11(15-10)12-6-9-5-4-8(3)16-9/h4-5,7H,6H2,1-3H3,(H,12,14)
InChIKeyLHSUZKXOQXTMHM-UHFFFAOYSA-N
MW237.33 g/mol
LogP3.18
Rot. Bonds4

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

N-[(5-methylthiophen-2-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 75446051) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID75446051
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(CNc2nnc(C(C)C)o2)s1
InChIInChI=1S/C11H15N3OS/c1-7(2)10-13-14-11(15-10)12-6-9-5-4-8(3)16-9/h4-5,7H,6H2,1-3H3,(H,12,14)
InChIKeyLHSUZKXOQXTMHM-UHFFFAOYSA-N
XLogP3.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 75446051) is N-[(5-methylthiophen-2-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine is Cc1ccc(CNc2nnc(C(C)C)o2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is LHSUZKXOQXTMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7(2)10-13-14-11(15-10)12-6-9-5-4-8(3)16-9/h4-5,7H,6H2,1-3H3,(H,12,14).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
N-[(5-methylthiophen-2-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 237.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75446051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).