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

C19H24N4OS — CID 50969385

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nnc(CN(Cc2cnc(-c3ccccc3C)s2)C(C)C)o1
InChIInChI=1S/C19H24N4OS/c1-5-17-21-22-18(24-17)12-23(13(2)3)11-15-10-20-19(25-15)16-9-7-6-8-14(16)4/h6-10,13H,5,11-12H2,1-4H3
InChIKeyPYRRCYBOURDSRP-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.47
Rot. Bonds7

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

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 50969385) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID50969385
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nnc(CN(Cc2cnc(-c3ccccc3C)s2)C(C)C)o1
InChIInChI=1S/C19H24N4OS/c1-5-17-21-22-18(24-17)12-23(13(2)3)11-15-10-20-19(25-15)16-9-7-6-8-14(16)4/h6-10,13H,5,11-12H2,1-4H3
InChIKeyPYRRCYBOURDSRP-UHFFFAOYSA-N
XLogP4.47
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091825
(2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide
CID 95208947
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol
CID 62021145
5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479
N-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 110652615
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 50977090
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338
dioxomanganese;2-(2-methylphenyl)-1,3-thiazole-5-carbaldehyde;[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol
CID 167702682
N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 78822942
5-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82514693
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 50963215

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 50969385) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCc1nnc(CN(Cc2cnc(-c3ccccc3C)s2)C(C)C)o1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is PYRRCYBOURDSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-5-17-21-22-18(24-17)12-23(13(2)3)11-15-10-20-19(25-15)16-9-7-6-8-14(16)4/h6-10,13H,5,11-12H2,1-4H3.
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 356.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 50969385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).