N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine

C17H20N4OS — CID 133334503

IUPACN-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCCN(Cc1cccs1)c1cc(-c2nc(C(C)C)no2)ccn1
InChIInChI=1S/C17H20N4OS/c1-4-21(11-14-6-5-9-23-14)15-10-13(7-8-18-15)17-19-16(12(2)3)20-22-17/h5-10,12H,4,11H2,1-3H3
InChIKeyOVOZDBZSUBVRJF-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.34
Rot. Bonds6

About N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine

N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 133334503) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID133334503
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCCN(Cc1cccs1)c1cc(-c2nc(C(C)C)no2)ccn1
InChIInChI=1S/C17H20N4OS/c1-4-21(11-14-6-5-9-23-14)15-10-13(7-8-18-15)17-19-16(12(2)3)20-22-17/h5-10,12H,4,11H2,1-3H3
InChIKeyOVOZDBZSUBVRJF-UHFFFAOYSA-N
XLogP4.34
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133385920
6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80953358
4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61438001
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133463420
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133432082
2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80798994
N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 78818781
N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 42290566
6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80938995
N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
CID 166203852
4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 64542947
N-ethyl-2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]acetamide
CID 133382715

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 133334503) is N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine is CCN(Cc1cccs1)c1cc(-c2nc(C(C)C)no2)ccn1.
What is the InChIKey of N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is OVOZDBZSUBVRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-4-21(11-14-6-5-9-23-14)15-10-13(7-8-18-15)17-19-16(12(2)3)20-22-17/h5-10,12H,4,11H2,1-3H3.
What are the key properties of N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 328.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 133334503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).